2-Chloro-1-fluoro-4-nitrobenzene

2-CHLORO-1-FLUORO-4-NITROBENZENE · 3-Chloro-4-fluoronit · Gefitinib Impurity 92 · 3-chloro-4-fluorobenzene · 3-Chloro-4-fluoronitrobenzen · 3-CHLORO-4-FLUORONITROANILINE · 4-FLUORO-3-CHLORONITROBENZENE · 3-CHLORO-4-FLUORONITROBENZENE

https://huagongshe.com/ko/chemical/67688

식별자 및 물리적 특성

CAS No.	350-30-1
분자식	C6H3ClFNO2
평균 분자량	175.54 g/mol
단동위원소 질량	174.98363424 g/mol
SMILES	O=[N+]([O-])c1ccc(F)c(Cl)c1
InChIKey	DPHCXXYPSYMICK-UHFFFAOYSA-N
PubChem CID	67688
ChEMBL	CHEMBL167472
EC No.	206-499-3
DTXSID	DTXSID6049278

화학 및 물리적 성질

XLogP	2.6
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	161
SpringerMaterials Properties	19F nuclear magnetic resonance spectrum
녹는점	40-42 °C(lit.)
끓는 점	227-232°C
밀도	1.61
인화점	>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
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-Chloro-4-fluoronitrobenzene(350-30-1)
EPA	3-Chloro-4-fluoronitrobenzene (350-30-1)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	DangerH301 (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.
Hazard Classes and Categories	Acute Tox. 3 (12.5%)
수질 위해 등급(WGK)	3
RTECS 번호	CZ0720000
운송 번호(UN)	2811
관세 코드	29049090
위험 문구(R)	22-37/38-41-36/37/38-20/21/22
위험 표시	Xn,Xi
안전 문구(S)	26-39-36/37/39
포장분류	III
위험 등급	6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
위험 참고 사항	Irritant
저장 분류	11 - Combustible Solids

용도

2-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 설명

2-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.