4-Chloro-3-nitrophenol

HCID 69127CAS 610-78-6

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(O)ccc1Cl
InChIKey: JUIKCULGDIZNDI-UHFFFAOYSA-N
분자식: C6H4ClNO3
평균 분자량: 173.55 g/mol
단동위원소 질량: 172.98797067

이름 및 식별자

우선 이름: 4-Chloro-3-nitrophenol
IUPAC: 4-chloro-3-nitrophenol
영어명: 4-Chloro-3-nitrophenol
분자식: C6H4ClNO3
분자량: 173.55

이름 및 동의어

4-Chloro-3-nitrophenol610-78-6Phenol, 4-chloro-3-nitro-DTXSID90209863NSC 211001RefChem:98450DTXCID40132354612-076-8InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9JUIKCULGDIZNDI-UHFFFAOYSA-NMFCD000435464-chloro-3-nitro-phenol

이름 더 보기

TIMTEC-BB SBB0079304-Chloro-3-nitrophenol, A4-Chloro-3-Nitrophenol98%4-Chloro-3-nitrophenol >4-CHLORO-3-NITROPHENOL 98%2-Nitro-4-Hydroxyphenyl Chloride4-CHLORO-3-NITROPHENOL FOR SYNTHESIS

3-nitro-4-chlorophenol2-Chloro-5-hydroxynitrobenzene; 3-Nitro-4-chlorophenol; NSC 211001;NSC2110014chloro-3-nitrophenol4-Chlor-3-nitro-phenol3-nitro-4-chloro phenolSCHEMBL545300SCHEMBL6255476

데이터베이스 식별자

CAS: 610-78-6
PubChem CID: 69127
DTXSID: DTXSID90209863
EC Number: 612-076-8
Nikkaji: J95.665A

물성

구조 계산 물성

XLogP: 1.9
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

물리화학적 성질

녹는점: 125 · 125-128 °C (lit.)
끓는 점: 308.8 · 308.8±27.0 °C(Predicted)
밀도: 1.554 · 1.554±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 7.7 · 7.70±0.10(Predicted)
색상: 갈색
BRN: 2094546 · 2094546
InChI: 1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey: JUIKCULGDIZNDI-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)c(c1)[N+]([O-])=O

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-Chloro-3-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29089000
risk_code: 20/21/22-36/37/38-36/37/381
hazard_code: Xn
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-3-nitrophenol may be used as sole carbon and energy supplement for Pseudomonas sp. JHN.

일반 설명4-Chloro-3-nitrophenol is a chloronitrophenol, widely used as an important building block for the synthesis of dyes, drugs, explosives and pesticides. Degradation of 4-chloro-3-nitrophenol by Pseudomonas sp. JHN is reported.