Phenol, 2-chloro-6-nitro-

HCID 11784CAS 603-86-1

기본 정보

표준 SMILES: O=[N+]([O-])c1cccc(Cl)c1O
InChIKey: ICCYFVWQNFMENX-UHFFFAOYSA-N
분자식: C6H4ClNO3
평균 분자량: 173.55 g/mol
단동위원소 질량: 172.98797067

이름 및 식별자

우선 이름: Phenol, 2-chloro-6-nitro-
IUPAC: 2-chloro-6-nitrophenol
영어명: 2-Chloro-6-nitrophenol
분자식: C6H4ClNO3
분자량: 173.55

이름 및 동의어

2-Chloro-6-nitrophenolPhenol, 2-chloro-6-nitro-6-CHLORO-2-NITROPHENOLEINECS 210-061-7NSC 28581DTXSID8060535RefChem:172755DTXCID0042793210-061-7603-86-1MFCD000242332-chloro-6-nitro-Phenol

이름 더 보기

2-CHLORO-6-NITROPHEN2-Chlor-6-nitrophenol2-chloro-6-nitro-pheno6-NITRO-O-CHLOROPHENOL2-NITRO-6-CHLOROPHENOL2-Chloro-6-nitrophenol,98%2-Chloro-6-nitrophenol >1-CHLORO-2-HYDROXY-3-NITROBENZENE

NSC285812-Chlor-6-nitro-phenolSCHEMBL103754ALBB-037242CL8465NSC-28581SBB064064AKOS005264161

데이터베이스 식별자

CAS: 603-86-1
PubChem CID: 11784
DTXSID: DTXSID8060535
EC Number: 210-061-7
Nikkaji: J27.343K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 67 · 67-71 °C
끓는 점: 217.3 · 217.3±20.0 °C(Predicted)
밀도: 1.4914 · 1.4914 (rough estimate)
굴절률: 1.581 · 1.5810 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 5.43 · 5.43±0.24(Predicted)
물리적 상태: 결정성 분말
색상: 노란색
InChI: InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
InChIKey: ICCYFVWQNFMENX-UHFFFAOYSA-N
SMILES: C1(O)=C([N+]([O-])=O)C=CC=C1Cl
EPA: 2 · Phenol, 2-chloro-6-nitro- (603-86-1)

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenol, 2-chloro-6-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (13%)