BUTENE, (S)-1-CYANO-2-HYDROXY-3-

BUTENE, (S)-1-CYANO-2-HYDROXY-3- 基本信息
CAS号 6071-81-4 分子式 C5H7NO
分子量 97.11520 精确质量  97.05280
PSA  44.02000 LogP  0.44698

等价的CAS号:

6071-81-4,27451-36-1,7451-85-6

基本信息 展开↓

CAS号:
6071-81-4
3D弹球模型:
立即前往扯扯看
分子式:
C5H7NO
分子量:
97.11520
英文名称:
BUTENE, (S)-1-CYANO-2-HYDROXY-3-
英文别名:
BUTENE, (S)-1-CYANO-2-HYDROXY-3-;
(R)-3-hydroxy-4-pentenenitrile;
(2S)-1-cyano-2-hydroxy-3-butene;
3-hydroxypent-4-enenitrile;
Cyanohydroxy butene;
(S)-1-cyano-2-hydroxy-3-butene;
1-cyano-2-hydroxy-3-butene;
(S)-3-hydroxy-4-pentenenitrile
精确分子量/精确质量:
97.05280
极性分子表面积/PSA:
44.02000
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。
InChI:
The Key: PBCLOVRWBLGJQA-YFKPBYRVSA-N

安全信息展开↓

海关代码:
2926909090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB4500000
CHEMICAL NAME :
4-Pentenonitrile, 3-hydroxy-, S-
CAS REGISTRY NUMBER :
6071-81-4
LAST UPDATED :
198910
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H7-N-O
MOLECULAR WEIGHT :
97.13
WISWESSER LINE NOTATION :
NC1YQ1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - coma
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 17,483,1969 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
150 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980

海关数据查看详细

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便