2-아미노-5-클로로-2'-플루오로벤조페논

2-Amino-5-chloro-2'-fluorobenzophenone

HCID 69912CAS 784-38-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIKey: GTGMXPIQRQSORU-UHFFFAOYSA-N
분자식: C13H9ClFNO
평균 분자량: 249.67 g/mol
단동위원소 질량: 249.03566981

이름 및 식별자

우선 이름: 2-Amino-5-chloro-2'-fluorobenzophenone
IUPAC: (2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone
현지명: 2-아미노-5-클로로-2'-플루오로벤조페논
영어명: 2-Amino-5-chloro-2'-fluorobenzophenone
분자식: C13H9ClFNO
분자량: 249.67

이름 및 동의어

2-Amino-5-chloro-2'-fluorobenzophenone784-38-3DTXSID50578322-Amino-2'-fluoro-5-chlorobenzophenoneEINECS 212-316-8DTXCID6031621Benzophenone, 2-amino-5-chloro-2'-fluoro-RefChem:85254212-316-8GTGMXPIQRQSORU-UHFFFAOYSA-N(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanoneMFCD00038381

이름 더 보기

2-아미노-5-클로로-2'-플루오로벤조페논2--5--2''-Fluoroamino ketoneTIMTEC-BB SBB0031512-Amino-5-chloro-2'-Lorazepam Impurity 23LABOTEST-BB LT004411412-Amino-5-chloro-2'-fluorobenz2-Amino-5-chlor-2'-fluorbenzophenon2-Amino-5-Chloro-2'-Fluroenzophenone2-AMINO-5-CHLORO-2,FLURO BENZOPHEONE

Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-(2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone5-Chloro-2-amino-2'-fluorobenzophenone4-chloro-2-(2-fluorobenzoyl)aniline2-amino-5-chlorophenyl 2-fluorophenyl ketone2-Amino-5-chloro-2 inverted exclamation mark -fluorobenzophenone(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methanoneSCHEMBL333224

데이터베이스 식별자

CAS: 784-38-3
PubChem CID: 69912
DTXSID: DTXSID5057832
ChEMBL: CHEMBL3183508
EC Number: 212-316-8
Nikkaji: J144.040C

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 287

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 95 · 95-98 °C(lit.)
끓는 점: 207 C · 207C
밀도: 1.3134 · 1.3134 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -1.05 · -1.05±0.10(Predicted)
색상: 노란색
InChI: InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChIKey: GTGMXPIQRQSORU-UHFFFAOYSA-N
SMILES: C(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1F)=O
NIST: Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-(784-38-3)

화학적 성질

YELLOW FINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.8% (4 of 51) of reports.

Warning

H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17982

Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (92.2%)

안전 데이터

wgk: 3
HS 번호: 29223990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25-36/37
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도A starting material for the synthesis of diazepam and other benzodiazepines

상·하류 제품 정보

상류 원료

염화 아연 수산화나트륨 P-클로로아닐린 황산 FLURAZEPAM 2-Fluorophenylboronic acid 4-CHLORO-(N-BOC)ANILINE 97 2-Amino-5-chloro-N-methoxy-N-methylbenzamide 5-클로로이사토산무수물 N-desalkylflurazepam 2-Amino-5-chlorobenzonitrile 2-브로모플로로벤젠

하류 제품

Midazolam

공급사50 곳

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