2-Chloro-1-fluoro-4-nitrobenzene (HCID 67688)

이름 및 식별자

우선 이름: 2-Chloro-1-fluoro-4-nitrobenzene
IUPAC: 2-chloro-1-fluoro-4-nitrobenzene
영어명: 3-Chloro-4-fluoronitrobenzene
분자식: C6H3ClFNO2
분자량: 175.54

이름 및 동의어

3-Chloro-4-fluoronitrobenzene350-30-12-Chloro-1-fluoro-4-nitrobenzeneEINECS 206-499-3DTXSID6049278UNII-8H6U84X075NSC 163894NSC-163894BRN 1944997DTXCID50291348H6U84X075DPHCXXYPSYMICK-UHFFFAOYSA-

이름 더 보기

3-Chloro-4-fluoronitGefitinib Impurity 923-chloro-4-fluorobenzene3-Chloro-4-fluoronitrobenzen3-CHLORO-4-FLUORONITROANILINE3-chioro-4-fluoronitrobenzene

4-05-00-00725 (Beilstein Handbook Reference)RefChem:86125206-499-3DPHCXXYPSYMICK-UHFFFAOYSA-NInChI=1/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3HBenzene, 2-chloro-1-fluoro-4-nitro-1-chloro-2-fluoro-5-nitrobenzene4-fluoro-3-chloronitrobenzene

데이터베이스 식별자

CAS: 350-30-1
PubChem CID: 67688
DTXSID: DTXSID6049278
ChEMBL: CHEMBL167472
UNII: 8H6U84X075
EC Number: 206-499-3
Nikkaji: J135.058G

물성

구조 계산 물성

XLogP: 2.6
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

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 40 · 40-42 °C(lit.)
끓는 점: 227 · 227-232°C
밀도: 1.61 · 1.61
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Light yellow to Green
BRN: 1944997 · 1944997
InChI: InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKey: DPHCXXYPSYMICK-UHFFFAOYSA-N
SMILES: C1(F)=CC=C([N+]([O-])=O)C=C1Cl
NIST: 3 · 3-Chloro-4-fluoronitrobenzene(350-30-1)
EPA: 3 · 3-Chloro-4-fluoronitrobenzene (350-30-1)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (12.5%): 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, P305+P354+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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

안전 데이터

wgk: 3
rtecs: CZ0720000
ridadr: 2811
HS 번호: 29049090
risk_code: 22-37/38-41-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-39-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloro-1-fluoro-4-nitrobenzene is an intermediate used in synthesis of benzoimidolones on Ameba resin and methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate.

일반 설명2-Chloro-1-fluoro-4-nitrobenzene undergoes reduction in the presence of Mo(CO)6 and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) under microwave irradiation to yield a mixture of 3-chloro-4-fluoroaniline and 3-chloro-4-ethoxyaniline.

상·하류 제품 정보

상류 원료

하류 제품

노르플록사신 1,3-디클로로-4-플로오르벤젠 3-클로로-4-모르폴리노아닐린 디플로로니트로벤젠(3,4-)1-(2-클로로-4-니트로-페닐)-피페리딘 (2-클로로-4-니트로페닐)히드라진

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

연결된 노트

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2-Chloro-1-fluoro-4-nitrobenzene

기본 정보