CAS 2040-90-6 2-Chloro-6-fluorophenol (HCID 2773710)

개요

an environmental pollutant

이름 및 식별자

우선 이름: 2-Chloro-6-fluorophenol
IUPAC: 2-chloro-6-fluorophenol
영어명: 2-Chloro-6-fluorophenol
분자식: C6H4ClFO
분자량: 146.55

이름 및 동의어

2-Chloro-6-fluorophenol2040-90-62-chloro-6-fluoro-phenolDTXSID1047738RefChem:86335DTXCID5027722433-890-8606-545-6Phenol, 2-chloro-6-fluoro-MFCD016315742-chloro-6-fluoro phenol6-chloro-2-fluorophenol

이름 더 보기

Chlorofluorophenol32-Chloro-6-fluorophe2-Chloro-6-flurophenol6-CHLORO-2-FLUORO PHENOL2-Chloro-6-fluorophenol >2-Chloro-6-fluorophenol 99+%2-Chloro-6-fluorophenol, 97+%2-Chloro-6-fluorophenol, 98%, 98%

EC 433-890-8SCHEMBL444678SCHEMBL1020947SCHEMBL5375204SCHEMBL22769601SCHEMBL299712232-Chloro-6-fluorophenol, 98%SBB086513

데이터베이스 식별자

CAS: 2040-90-6
PubChem CID: 2773710
DTXSID: DTXSID1047738
EC Number: 433-890-8、606-545-6
Nikkaji: J2.998.308I

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 62 · 62-65 °C (lit.)
끓는 점: 160.6 · 160.6±20.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.23 · 7.23±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 1936441 · 1936441
InChI: InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: QIAQIYQASAWZPP-UHFFFAOYSA-N
SMILES: C1(O)=C(F)C=CC=C1Cl
EPA: 2 · Phenol, 2-chloro-6-fluoro- (2040-90-6)

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Hazard Traits - Genotoxicity

Status: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12902

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute Tox. 4 (11.1%)

Germ cell mutagenicity - category 1B

Muta. 1B

독성 정보

EPA Provisional Peer-Reviewed Toxicity Values · 3건

2-Chloro-6-fluorophenol

PDF Document

2006

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Muta. 1BRepr. 2Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도2-Chloro-6-fluorophenol serves as a precursor for aryl benzoates via acylation with substituted benzoyl chlorides under basic conditions or in dichloromethane with triethylamine[1]. It reacts with sodium chlorite hydrate in sulfuric acid to prepare quinones[2].