3-氯丙烷磺酰氯

3-氯丙烷磺酰氯 基本信息
CAS号 1633-82-5 分子式 C3H6Cl2O2S
分子量 177.05000 精确质量  175.94700
PSA  42.52000 LogP  2.26470

基本信息 展开↓

CAS号:
1633-82-5
3D弹球模型:
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分子式:
C3H6Cl2O2S
分子量:
177.05000
中文名称:
3-氯丙烷磺酰氯
英文名称:
3-Chloropropanesulfonyl chloride
中文别名:
3-氯丙烷磺酰氯;
3-氯丙磺酰氯
英文别名:
3-Chloropropanesulfonyl chloride;
3-Chloropropane-1-sulfonyl chloride;
3-chloropropane-1-sulfonyl chloride
精确分子量/精确质量:
175.94700
极性分子表面积/PSA:
42.52000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00007463
EINECS:
216-646-3
PubChem:
24847653
BRN:
1754119
InChI:
InChI=1/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2

物化性质展开↓

外观与性状:
透明无色液体
密度:
1.456 g/mL at 25 °C(lit.)
沸点:
70 °C0.5 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.489(lit.)

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2904909090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34;R36/37
安全说明:
S26-S36/37/39-S45-S24/25
RTECS号:
TZ6670000
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 1120-71-4

    1,3-丙烷磺内酯

  • ~96%

  • 1633-82-5

    3-氯丙烷磺酰氯

  • 10147-36-1

    丙基磺酰氯

  • ~78%

  • 2386-59-6

    2-Chlor-1-propansulfochlorid

  • +

  • 1633-82-5

    3-氯丙烷磺酰氯

  • 19721-22-3

    3-巯基-1-丙醇

  • ~24%

  • 1120-71-4

    1,3-丙烷磺内酯

  • +

  • 1633-82-5

    3-氯丙烷磺酰氯

化学图谱

  1. 3-氯丙烷磺酰氯质谱(MS)

  2. 3-氯丙烷磺酰氯红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ6670000
CHEMICAL NAME :
Propanesulfonyl chloride, chloro-
CAS REGISTRY NUMBER :
1633-82-5
BEILSTEIN REFERENCE NO. :
1754119
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H6-Cl2-O2-S
MOLECULAR WEIGHT :
177.05
WISWESSER LINE NOTATION :
WSG3 YG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1160 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,AUG1942

MSDS 展开↓

Name: 3-Chloropropanesulfonyl Chloride 96% Material Safety Data Sheet
Synonym: Gamma-Chloropropanesulfonyl Chloride
CAS: 1633-82-5
Section 1 - Chemical Product   MSDS Name:3-Chloropropanesulfonyl Chloride 96% Material Safety Data Sheet
Synonym:Gamma-Chloropropanesulfonyl Chloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1633-82-5 3-Chloropropanesulfonyl Chloride 96 216-646-3
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.Moisture sensitive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.
Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Use only in a well-ventilated area. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Corrosives area. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1633-82-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 70 deg C @ .50mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.4560g/cm3
Molecular Formula: C3H6Cl2O2S
Molecular Weight: 177.05

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, moisture, excess heat.
Incompatibilities with Other Materials:
Moisture, alcohols, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1633-82-5: TZ6670000 LD50/LC50:
Not available.
Carcinogenicity:
3-Chloropropanesulfonyl Chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 1633-82-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1633-82-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1633-82-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2904909090

概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积42.5

7.重原子数量:8

8.表面电荷:0

9.复杂度:134

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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