4- 클로로 -3- 니트로 아닐린

4-클로로-3-니트로아닐린 · 4-Chlor-3-nitroanilin · 4-chloro-3-nitro-anilin · 3-NITRO-4-CHLOROANILINE · 4-CHLORO-3-NITROANILINE · Aniline, 4-chloro-3-nitro- · 4-Chloro-3-nitrobenzenamine · 4-chloro-3-nitro-benzenamin

https://huagongshe.com/ko/chemical/12477

식별자 및 물리적 특성

CAS No.	635-22-3
분자식	C6H5ClN2O2
평균 분자량	172.57 g/mol
단동위원소 질량	172.00395508 g/mol
SMILES	Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIKey	FOHHWGVAOVDVLP-UHFFFAOYSA-N
PubChem CID	12477
ChEMBL	CHEMBL3560892
EC No.	211-231-3
DTXSID	DTXSID7052319
현지명	4- 클로로 -3- 니트로 아닐린

화학 및 물리적 성질

XLogP	2.1
극성 표면적	71.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	159
물질 분류	Nitrogen Compounds -> Other Aromatics (Nitrogen)
LogP(분배 계수)	log Kow = 2.06
Color/Form	Yellow to tan powderYellow needles or prisms from waterneedles from petroleum ether
용해도	Soluble in ether, chloroformvery soluble in ethanolslightly soluble in ligroinPartially sol in hot water
녹는점	103 °C99-101 °C (lit.)
증기압	0.000485 [mmHg]
Physical Description	Yellow to tan solid[Hawley] Yellow powder[MSDSonline]
Dissociation Constants	pKa = 1.90 (conjugate acid)
Collision Cross Section	126.1 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7052319]
끓는 점	200°C (rough estimate)
밀도	1.5610 (rough estimate)
굴절률	1.5870 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
pKa(산도 계수)	1.87±0.10(Predicted)
물리적 상태	powder to crystal
색상	흰색에서 노란색, 주황색으로
BRN	1309394
헨리 상수	1.8×103 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey	FOHHWGVAOVDVLP-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(Cl)C([N+]([O-])=O)=C1
NIST	Benzenamine, 4-chloro-3-nitro-(635-22-3)
EPA	4-Chloro-3-nitroaniline (635-22-3)

화학적 성질

ochre powder

안전 및 규제

GHS 분류	DangerH300 (95.6%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzenamine, 4-chloro-3-nitro-
유해성 요약	A reproductive effector and mild eye irritantCauses altered righting reflex in lethal-dose feeding studies of rats[RTECS] Emergency treatment: Methemoglobinemia[HSDB]
TSCA 요건	Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Benzenamine, 4-chloro-3-nitro- is included on this list. Effective date 10/4/82Sunset date 10/4/92.
DOT Emergency Guidelines	/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXICinhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Chloronitroanilines//GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Chloronitroanilines//GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Chloronitroanilines/

용도

Intermediate in the manufacture of azo dyes, pharmaceuticals, and other organic compounds.