3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde

3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde 基本信息
CAS号 104310-02-3 分子式 C11H12N2O2
分子量 204.22500 精确质量  204.09000
PSA  49.41000 LogP  2.07650

基本信息 展开↓

CAS号:
104310-02-3
3D弹球模型:
立即前往扯扯看
分子式:
C11H12N2O2
分子量:
204.22500
中文名称:
3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
英文名称:
3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
中文别名:
3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
英文别名:
3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde;
3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbaldehyde;
2,3,4,5-Tetrahydro-3-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxaldehyde;
1H-1,5-BENZODIAZEPINE-1-CARBOXALDEHYDE,2,3,4,5-TETRAHYDRO-3-METHYL-4-OXO
精确分子量/精确质量:
204.09000
极性分子表面积/PSA:
49.41000
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: FKIQEBMKCDEDBS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.244g/cm3
沸点:
425.2ºC at 760 mmHg
闪点:
210.9ºC
折射率:
1.608
蒸汽压:
1.95E-07mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 64-18-6

    Formic acid

  • +

  • 54028-76-1

    1,3,4,5-四氢-3-甲基-2H-1,5-苯并二氮杂卓-2-酮

  • ~31%

  • 104310-02-3

    3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde

  • 95-54-5

    1,2-苯二胺

  • 104310-02-3

    3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE8747910
CHEMICAL NAME :
1H-1,5-Benzodiazepine-1-carboxaldehyde, 2,3,4,5-tetrahydro-3-methyl-4-oxo-
CAS REGISTRY NUMBER :
104310-02-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2-O2
MOLECULAR WEIGHT :
204.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,686,1985

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 64-18-6

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    1,3,4,5-四氢-3-甲基-2H-1,5-苯并二氮杂卓-2-酮

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