4-Chloro-3-(trifluoromethyl)phenol

HCID 80520CAS 6294-93-5

기본 정보

표준 SMILES: Oc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: ZLFPIEUWXNRPNM-UHFFFAOYSA-N
분자식: C7H4ClF3O
평균 분자량: 196.55 g/mol
단동위원소 질량: 195.99027709

이름 및 식별자

우선 이름: 4-Chloro-3-(trifluoromethyl)phenol
IUPAC: 4-chloro-3-(trifluoromethyl)phenol
영어명: 2-Chloro-5-hydroxybenzotrifluoride
분자식: C7H4ClF3O
분자량: 196.55

이름 및 동의어

4-Chloro-3-(trifluoromethyl)phenol6294-93-52-Chloro-5-hydroxybenzotrifluoridePhenol, p-chloro-m-trifluoromethyl-Phenol, 4-chloro-3-(trifluoromethyl)-3DRC93J3XEZLFPIEUWXNRPNM-UHFFFAOYSA-NSC-11757DTXSID00212146RefChem:98419DTXCID00134637Phenol, 4-chloro-3-(trifluoromethyl)-(9CI)

이름 더 보기

p-chloro-m-trifluoromethylphenolp-chloro-m-trifluoromethyl-pheno-CHLORO-5-HYDROXYBENZOTRIFLUORIDEα,α,α-trifluoro-4-chloro-M-cresol3-(TRIFLUOROMETHYL)-4-CHLOROPHENOL2-Chloro-5-hydroxybenzotrifluoride98%

613-117-2InChI=1/C7H4ClF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H4-Chloro-3-trifluoromethylphenolMFCD00042525NSC 11757Phenol, p-chloro-m-(trifluoromethyl)-UNII-3DRC93J3XEm-Cresol, 4-chloro-alpha,alpha,alpha-trifluoro-

데이터베이스 식별자

CAS: 6294-93-5
PubChem CID: 80520
DTXSID: DTXSID00212146
UNII: 3DRC93J3XE
EC Number: 613-117-2
Nikkaji: J50.124G

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 44 · 44-46°C
끓는 점: 120 · 120-122°C 27mm
밀도: 1.469 · 1.4690 (estimate)
인화점: 120 · 120-122°C/27mm
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.52 · 8.52±0.18(Predicted)
BRN: 2261083 · 2261083

화학적 성질

Light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.