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Basic information
- CAS
5606-55-3- Standard SMILES
CCOC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
DTKOQJNQMOCKQU-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3
- Average molar mass
- 342.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
- IUPAC
- ethyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate
- English name
- ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
- Molecular formula
- C18H15ClN2O3
- Molecular weight
- 342.78
Names & synonyms
Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylateRefChem:596012227-026-75606-55-3Ethyl clorazepateClorazepic Acid Ethyl EsterKC3D4ENU6Hethyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate(Z)-Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-benzo[e][1,4]diazepine-3-carboxylateEthyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylateEthyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylateETHYL 7-CHLORO-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO(E)(1,4)DIAZEPINE-3-CARBOXYLATE
Show more names
ethyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzo diazepine-3-carboxylate7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, ethyl esterethyl (3RS)-7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate (ethyl clorazepate).
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- white solid
- FDA UNII
- 3 D4ENU6H · KC3D4ENU6H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19618
Hazard Classes and CategoriesSkin Irrit. 2 (14.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
UsesClorazepic Acid Ethyl Ester-d5 is labelled Clorazepic Acid Ethyl Ester (C587375), an ethyl ester of Clorazepic Acid (C587365, Dipotassium Salt) which is an anxiolytic.
Suppliers14 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司
Related reactions
20 records
Compound notes
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