替宁酸

替宁酸 基本信息
CAS号 40180-04-9 分子式 C13H8Cl2O4S
分子量 331.17100 精确质量  329.95200
PSA  91.84000 LogP  3.74930

基本信息 展开↓

CAS号:
40180-04-9
3D弹球模型:
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分子式:
C13H8Cl2O4S
分子量:
331.17100
中文名称:
替宁酸
英文名称:
tienilic acid
中文别名:
替宁酸;
2,3-二氯-4-(2-噻吩甲酰基)苯氧基乙酸;
噻吩利尿酸;
2-(2,3-二氯-4-(噻吩-2-羰基)苯氧基)乙酸
英文别名:
tienilic acid;
[2,3-dichloro-4-(2-thenoyl)phenoxy]acetic acid;
[2,3-dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid;
Thienylic acid;
Ticrex;
Diflurex;
Tienilico acido;
Acido tienilico;
2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid;
TienilicAcid;
Acidum tienilicum;
2,3-dichloro-4-(thien-2-ylcarbonyl)-phenoxyacetic acid;
Tienilic acid;
Ticrynafen;
Acide tienilique;
Selacryn;
Ticrynafen Tienylic acid [2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy]-acetic acid
精确分子量/精确质量:
329.95200
极性分子表面积/PSA:
91.84000
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:
254-826-3
InChI:
InChI=1/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)

物化性质展开↓

密度:
1.532g/cm3
熔点:
148-149ºC
沸点:
534.6ºC at 760 mmHg
闪点:
277.1ºC
折射率:
1.632

安全信息展开↓

海关代码:
2934999090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG9300000
CHEMICAL NAME :
Acetic acid, (2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)-
CAS REGISTRY NUMBER :
40180-04-9
BEILSTEIN REFERENCE NO. :
1260086
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C13-H8-Cl2-O4-S
MOLECULAR WEIGHT :
331.17
WISWESSER LINE NOTATION :
T5SJ BVR BG CG DO1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
3571 ug/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - urine volume decreased
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
6666 ug/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Kidney, Ureter, Bladder - urine volume decreased
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1275 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
318 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
225 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 :
3360 mg/kg/28D-I
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6300 mg/kg/14D-I
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
100 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 157,1,1985

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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