기본 정보
- CAS
1022-13-5- 표준 SMILES
CNc1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
WPNMLCMTDCANOZ-UHFFFAOYSA-N- 분자식
- C14H12ClNO
- 평균 분자량
- 245.7 g/mol
- 단동위원소 질량
- 245.0607417
이름 및 식별자
- 우선 이름
- 2-(Methylamino)-5-chlorobenzophenone
- IUPAC
- [5-chloro-2-(methylamino)phenyl]-phenylmethanone
- 영어명
- 5-Chloro-2-(methylamino)benzophenone
- 분자식
- C14H12ClNO
- 분자량
- 245.7
이름 및 동의어
1022-13-52-Methylamino-5-chlorobenzophenoneMethanone, [5-chloro-2-(methylamino)phenyl]phenyl-(5-Chloro-2-(methylamino)phenyl)phenylmethanoneD4GD5770PIMethanone, (5-chloro-2-(methylamino)phenyl)phenyl-DTXSID40614162-(N-methylamino)-5-chlorobenzophenone[5-Chloro-2-(methylamino)phenyl]phenylmethanone2-(Methylamino)-5-chlorobenzophenoneRefChem:5346052-MACB
이름 더 보기
Diazepam Impurity CDiazepam Impurity DRo 5-4365Diazepam Impurity AMethyl-aMino ketoneDiazepam Impurity 9Diazapam Impurity DTeMazepaM IMpurity ADiazepam benzophenoneDiazepam EP impurity D
DTXCID30327075-Chloro-2-(methylamino)benzophenone5-Chloro-2-methylaminobenzophenone(5-Chloro-2-(methylamino)phenyl)(phenyl)methanone[5-chloro-2-(methylamino)phenyl]-phenylmethanoneMFCD00008284BENZOPHENONE, 5-CHLORO-2-(METHYLAMINO)-2-benzoyl-4-chloro-N-methylaniline
데이터베이스 식별자
- CAS
1022-13-5- PubChem CID
- 13925
- DTXSID
DTXSID4061416- UNII
- D4GD5770PI
- EC Number
- 213-822-1
- Nikkaji
- J859A
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 263
물리화학적 성질
- 녹는점
- 93 · 93-95 °C (lit.)
- 끓는 점
- 421.9 · 421.9±35.0 °C(Predicted)
- 밀도
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly)
- 산도 계수 (pKa)
- 1.45 · pKa 1.45±0.04(7% EtOH in H2O,t =25,0.02 to 0.40M in HCl) (Uncertain)
- 물리적 상태
- 고체
- 색상
- 밝은 노란색에서 노란색까지
- BRN
- 882187 · 882187
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
- InChIKey
- WPNMLCMTDCANOZ-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Cl)=CC=C1NC)(C1=CC=CC=C1)=O
- NIST
- 5 · Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-(1022-13-5)
- EPA
- 5 · Methanone, [5-chloro-2-(methylamino)phenyl]phenyl- (1022-13-5)
화학적 성질
solid
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DJ0414000
- HS 번호
- 2933999552
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-Chloro-2-(methylamino)benzophenone is an impurity of 1,4- Temazepam (T017200) as well as a decompoition product of Diazepam and other 1,4-benzodiazepine derivatives.
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