2-phenylethyl 2-chloroacetate

2-phenylethyl 2-chloroacetate 基本信息
CAS号 7476-91-7 分子式 C10H11ClO2
分子量 198.64600 精确质量  198.04500
PSA  26.30000 LogP  2.01110

基本信息 展开↓

CAS号:
7476-91-7
3D弹球模型:
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分子式:
C10H11ClO2
分子量:
198.64600
英文名称:
2-phenylethyl 2-chloroacetate
英文别名:
2-phenylethyl 2-chloroacetate;
ACETIC ACID,CHLORO-,PHENETHYL ESTER;
Chlor-essigsaeure-phenaethylester;
2-phenylethyl chloroacetate;
Phenethyl chloroacetate;
phenylethylchloroacetate;
chloroacetic acid 2-phenylethyl ester;
Chloro-acetic acid phenethyl ester;
EINECS 231-279-9;
Acetic acid,chloro-,2-phenylethyl ester;
phenethyl 2-chloroacetate;
Chloressigsaeure-2-phenylethylester
精确分子量/精确质量:
198.04500
极性分子表面积/PSA:
26.30000
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: MVUXHXZFGGRGNC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.167g/cm3
沸点:
281.8ºC at 760 mmHg
闪点:
135.3ºC
折射率:
1.519

安全信息展开↓

海关代码:
2915400090

合成路线查看所有的合成路线

  • 60-12-8

    苯乙醇

  • +

  • 541-88-8

    氯乙酸酐

  • ~96%

  • 7476-91-7

    2-phenylethyl 2-chloroacetate

  • 60-12-8

    苯乙醇

  • +

  • 79-11-8

    氯乙酸

  • 7476-91-7

    2-phenylethyl 2-chloroacetate

  • 60-12-8

    苯乙醇

  • +

  • 79-04-9

    一氯代乙酰氯

  • 7476-91-7

    2-phenylethyl 2-chloroacetate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF9800000
CHEMICAL NAME :
Acetic acid, chloro-, phenethyl ester
CAS REGISTRY NUMBER :
7476-91-7
BEILSTEIN REFERENCE NO. :
2102303
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H11-Cl-O2
MOLECULAR WEIGHT :
198.66
WISWESSER LINE NOTATION :
G1VO2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,99,1956

海关数据查看详细

中国海关编码:2915400090

概述:
2915400090 其他一氯代乙酸的盐和酯(包括二氯代乙酸或三氯代乙酸的盐和酯). 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:
2915400090 mono-, di- or trichloroacetic acids, their salts and esters

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  • 60-12-8

    苯乙醇

  • 541-88-8

    氯乙酸酐

  • 79-04-9

    一氯代乙酰氯

  • 79-11-8

    氯乙酸

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