二溴甘露醇

二溴甘露醇 基本信息
CAS号 488-41-5 分子式 C6H12Br2O4
分子量 307.96500 精确质量 　305.91000
PSA 　80.92000 LogP 　-0.78020
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
488-41-5
3D弹球模型：
立即前往扯扯看
分子式：
C6H12Br2O4
分子量：
307.96500
中文名称：
二溴甘露醇
英文名称：
1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL
中文别名：
二溴甘露醇;
1,6-二溴-1,6-二脱氧-D-甘露糖醇
英文别名：
1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL;
myelobromol;
1.6-Dibrom-1.6-didesoxy-D-mannit;
dibromannit;
r54;
1.6-dibromo-1.6-dideoxy-D-mannitol;
dibromomannitol;
Mielobromol;
mieobromol;
1,6-dibromo-D-1,6-dideoxy-mannitol;
mitobronitol;
myebrol
精确分子量/精确质量：
305.91000
极性分子表面积/PSA：
80.92000
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。
EINECS：
207-676-8
InChI：
The Key: VFKZTMPDYBFSTM-KVTDHHQDSA-N

生产制备方法及用途展开↓

制备方法

由D-甘露醇与氢溴酸反应得到二溴甘露醇: 将甘露醇溶解于氢溴酸,加热回流3h。加水稀释并降温至52℃,加入活性炭脱色。过滤,将滤液降温至20℃,搅拌下用碳酸氢钠调节pH1~2,冷冻后甩滤、水洗、氯仿洗涤,真空干燥后用甲醇重结晶、活性炭脱色精制而得成品。收率约36%。

合成制备方法

由D-甘露醇与氢溴酸反应得到二溴甘露醇:
将甘露醇溶解于氢溴酸,加热回流3h。加水稀释并降温至52℃,加入活性炭脱色。过滤,将滤液降温至20℃,搅拌下用碳酸氢钠调节pH1~2,冷冻后甩滤、水洗、氯仿洗涤,真空干燥后用甲醇重结晶、活性炭脱色精制而得成品。收率约36%。

用途简介

本品为抗肿瘤药物。

用途

本品为抗肿瘤药物。

物化性质展开↓

密度：
2.117g/cm3
沸点：
511.2ºC at 760mmHg
闪点：
263ºC
折射率：
1.622
蒸汽压：
1.37E-12mmHg at 25°C
稳定性相关：

遇碱易分解,其水溶液能分解逸出氢溴酸。在干燥空气中稳定,无臭,味微苦。

其它信息：

1.       性状：白色结晶或结晶性粉末。

2.       熔点（ºC）：187。

3.       溶解性：易溶于浓氢溴酸及DMF。略溶于乙醇,微溶于水和丙酮。

安全信息展开↓

海关代码：
2905590090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
45-22
RTECS号：
OP2800000
安全标志：
S22:不要吸入粉尘。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志：
T: Toxic;

合成路线查看所有的合成路线

  • 56-23-5

    四氯化碳

  • +

  • 7789-60-8

    三溴化磷

  • +

  • 641-74-7

    异甘露糖醇

  • →

  • 488-41-5

    二溴甘露醇

  • 17107-32-3

    1,2-bis(2-bromo-1-hydroxyethyl)-3,3-dimethylcyclopropane-1,2-diol

  • →

  • 488-41-5

    二溴甘露醇

  • +

  • 100778-28-7

    2,5-anhydro-1-bromo-6-chloro-1,6-dideoxy-D-glucitol

  • +

  • 32739-56-3

    (2R,3S,4S,5S)-2,5-bis(bromomethyl)tetrahydrofuran-3,4-diol

  • +

  • 100778-27-6

    100778-27-6

  • 19895-66-0

    hexa-1,5-diene-2,3,4,5-tetrol

  • →

  • 488-41-5

    二溴甘露醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OP2800000
CHEMICAL NAME :
Mannitol, 1,6-dibromo-1,6-dideoxy-, D-
CAS REGISTRY NUMBER :
488-41-5
BEILSTEIN REFERENCE NO. :
1721919
LAST UPDATED :
199707
DATA ITEMS CITED :
36
MOLECULAR FORMULA :
C6-H12-Br2-O4
MOLECULAR WEIGHT :
308.00
WISWESSER LINE NOTATION :
E1YQYQYQYQ1E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - normocytic anemia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Blood - normocytic anemia Blood - thrombocytopenia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1240 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Blood - normocytic anemia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1370 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1380 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - ataxia Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - ataxia Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - ataxia Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1080 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4950 mg/kg/33D-I
TOXIC EFFECTS :
Behavioral - ataxia Liver - other changes Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5460 mg/kg/26W-I
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - normocytic anemia Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10920 mg/kg/26W-C
TOXIC EFFECTS :
Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9750 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7000 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
300 mg/kg
SEX/DURATION :
female 9-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3900 mg/kg
SEX/DURATION :
female 26 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
300 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3900 mg/kg
SEX/DURATION :
male 26 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
150 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
150 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
300 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Heritable translocation test
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - rabbit Bone marrow
DOSE/DURATION :
730 umol/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 25,1705,1976 *** REVIEWS *** TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 1(1),93,1971 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,159,1973

海关数据查看详细

中国海关编码：2905590090

概述：
2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 包装
摘要/Summary：
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：57.47

2、  摩尔体积（cm3/mol）：183.4

3、  等张比容（90.2K）：477.7

4、  表面张力（dyne/cm）：45.9

5、  极化率（10-24cm3）：22.78

上下游相关产品

上游产品

更多

  • 69-65-8

    甘露醇

  • 641-74-7

    异甘露糖醇

  • 506-96-7

    乙酰溴

  • 19895-66-0

    hexa-1,5-diene-2,3,4,5-tetrol

  • 17107-32-3

    1,2-bis(2-bromo-1-hydroxyethyl)-3,3-dimethylcyclopropane-1,2-diol

下游产品

更多

  • 15430-91-8

    1,6-Dideoxy-1,6-Diiodo-D-Mannitol

  • 15410-49-8

    2,3,4,5-Tetra-O-acetyl-1,6-dibromo-1,6-dideoxy-D-mannitol

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP