3,4,5-三氯苯甲酸

3,4,5-三氯苯甲酸 基本信息
CAS号 51-39-8 分子式 C7H3Cl3O2
分子量 225.45700 精确质量  223.92000
PSA  37.30000 LogP  3.34500

基本信息 展开↓

CAS号:
51-39-8
3D弹球模型:
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分子式:
C7H3Cl3O2
分子量:
225.45700
中文名称:
3,4,5-三氯苯甲酸
英文名称:
3,4,5-Trichlorobenzoic acid
中文别名:
3,4,5-三氯苯甲酸;
3,5-dichlorobenzoate;
3,5-Dichlorobenzoic acid;
(2S,4R)-(-)-4-Hydroxy-2-pyrrolinecarboxylic acid;
4-Hydroxyproline;
4-L-Hydroxyproline;
delta-Hydroxyproline;
Hypro;
L-Proline, 4-hydroxy-, trans-;
L-Proline,4-hydroxy-,trans;
Ls-Hydroxyproline;
Proline, 4-hydroxy-;
(2S,4R)-4-Hydroxyproline;
L-Hydroxyproline;
(4R)-4-hydroxy-L-proline;
3-hydroxy-L-proline;
1-hydroxyproline;
1-hydroxy-L-proline;
trans-4-Hydroxy-L-proline;
actinomycin x i;
actinomyein-theo-val-pro-sar-meval;
ACTO-D;
AD;
Dilactone actinomycindioic D acid;
Dilactone actinomycin D acid;
C1;
Cosmegen;
Dactinomycin D;
dactinomyein d;
2-amino-4,6-dimethyl-3-oxo-N,N'-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide;
2-amino-4,6-dimethyl-3-oxo-N,N'-bis[2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxooctadecahydrocyc;
Dactinomycin;
Calciferolum;
Calciferon 2;
Calderol;
Condacaps;
Condol;
Crtron;
Crystallina;
Daral;
Davitamon D;
Davitin;
Decaps;
Dee-ostero
英文别名:
3,4,5-Trichlorobenzoic acid;
3,4,5-trichlorobenzoicacid;
3,4,5-Trichlor-benzoesaeure;
BENZOIC ACID,3,4,5-TRICHLORO
精确分子量/精确质量:
223.92000
极性分子表面积/PSA:
37.30000
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:
InChI=1/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)

物化性质展开↓

密度:
1.635g/cm3
熔点:
208-210ºC
沸点:
345.4ºC at 760mmHg
闪点:
162.7ºC
折射率:
1.611

合成路线查看所有的合成路线

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    硝酸

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    3,4,5-三氯苯甲酸

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    氯化氢

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  • 51-39-8

    3,4,5-三氯苯甲酸

  • 62909-66-4

    4-氨基-3,5-二氯苯甲醛

  • 51-39-8

    3,4,5-三氯苯甲酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH8225000
CHEMICAL NAME :
Benzoic acid, 3,4,5-trichloro-
CAS REGISTRY NUMBER :
51-39-8
BEILSTEIN REFERENCE NO. :
3267440
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H3-Cl3-O2
MOLECULAR WEIGHT :
225.45
WISWESSER LINE NOTATION :
QVR CG DG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 13,1538,1964

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