1-Chloro-4-fluoro-2-nitrobenzene

HCID 67659CAS 345-17-5

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)ccc1Cl
InChIKey: DVXDJQKEEKXJBW-UHFFFAOYSA-N
분자식: C6H3ClFNO2
평균 분자량: 175.54 g/mol
단동위원소 질량: 174.98363424

이름 및 식별자

우선 이름: 1-Chloro-4-fluoro-2-nitrobenzene
IUPAC: 1-chloro-4-fluoro-2-nitrobenzene
영어명: 2-CHLORO-5-FLUORONITROBENZENE
분자식: C6H3ClFNO2
분자량: 175.54

이름 및 동의어

2-Chloro-5-fluoronitrobenzene345-17-51-Chloro-4-fluoro-2-nitrobenzeneBenzene, 1-chloro-4-fluoro-2-nitro-3P9ZE2DD39EINECS 206-456-92-CHLORO-5-FLUORO-1-NITROBENZENEDTXSID60188055RefChem:75418DTXCID90110546206-456-9MFCD00084853

이름 더 보기

2-CHLORO-5-FLUORONIT2-Chloro-5-fluoronitro2-chloro-5-fluoronitrobenzenen2-chloro-5-fluoronitrobenzenene1-chloro-4-fluoro-2-nitrobenzen2-Chloro-5-fluoronitrobenzene99%1-NITRO-2-CHLORO-5-FLUOROBENZENE2-Chloro-5-fluoronitrobenzene 99%

UNII-3P9ZE2DD392-chloro-5-fiuoronitrobenzeneSCHEMBL687212AS-14471C2166EN300-2013192-chloro-5-fluoro nitrobenzene1-chloro-4-fluoro-2-nitro-benzene

데이터베이스 식별자

CAS: 345-17-5
PubChem CID: 67659
DTXSID: DTXSID60188055
UNII: 3P9ZE2DD39
EC Number: 206-456-9
Nikkaji: J193.794D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 37 · 37-40 °C (lit.)
끓는 점: 238 °C · 238 °C (lit.)
밀도: 1.5019 · 1.5019 (estimate)
인화점: 229 °F · 229 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump
색상: Light yellow to Yellow to Orange
BRN: 2094191 · 2094191
InChI: 1S/C6H3ClFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKey: DVXDJQKEEKXJBW-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(F)ccc1Cl

화학적 성질

Yellow crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (10.9%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloro-5-fluoronitrobenzene may be used in the preparation of N,N-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine. It may be used in the synthesis of N-methyl-2-(2-amino-4-fluorophenylthio)benzylamine.

일반 설명2-Chloro-5-fluoronitrobenzene is a fluorinated building block.