Phenol, 2-chloro-5-(trifluoromethyl)-

HCID 123498CAS 40889-91-6

기본 정보

표준 SMILES: Oc1cc(C(F)(F)F)ccc1Cl
InChIKey: SUIZARUATMVYRT-UHFFFAOYSA-N
분자식: C7H4ClF3O
평균 분자량: 196.55 g/mol
단동위원소 질량: 195.99027709

이름 및 식별자

우선 이름: Phenol, 2-chloro-5-(trifluoromethyl)-
IUPAC: 2-chloro-5-(trifluoromethyl)phenol
영어명: 2-Chloro-5-(trifluoromethyl)phenol
분자식: C7H4ClF3O
분자량: 196.55

이름 및 동의어

2-Chloro-5-(trifluoromethyl)phenol40889-91-6Phenol, 2-chloro-5-(trifluoromethyl)-DTXSID40193884RefChem:860840DTXCID80116375627-598-14-Chloro-3-hydroxybenzotrifluoride2-Chloro-5-trifluoromethylphenolMFCD00019995m-Cresol, 6-chloro-.alpha.,.alpha.,.alpha.-trifluoro-,2-Chloro-5-trifluoromethyl-phenol

이름 더 보기

3-HYDROXY-4-CHLOROBENZOTRIFLUORIDE4-Chloro-3-hydroxybenzotrifluoride98%4-Chloro-3-hydroxybenzotrifluoride 98%2-Chloro-5-(trifluoromethyl)phenol >2-Chloro-5-(trifluoromethyl)phenol 96%2-Chloro-5-(trifluoromethyl)phenol, 6-Chloro-alpha,alpha,alpha-trifluoro-m-cresol

SCHEMBL226137SCHEMBL37604272-chloro-5-(trifluoromethyl) phenolSBB092050STK3367272-Chloro-5-(trifluoromethyl)phenol #AKOS000298516CS-W010582

데이터베이스 식별자

CAS: 40889-91-6
PubChem CID: 123498
DTXSID: DTXSID40193884
EC Number: 627-598-1
Nikkaji: J60.200K

물성

구조 계산 물성

XLogP: 3.4
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

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 87 · 87-88 °C38 mm Hg(lit.)
밀도: 1.459 g/mL · 1.459 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 115 °F · 115 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 7.49 · 7.49±0.10(Predicted)
색상: Light orange to Yellow to Green
Specific Gravity: 1.459 · 1.459
BRN: 2094176 · 2094176
InChI: 1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChIKey: SUIZARUATMVYRT-UHFFFAOYSA-N
SMILES: Oc1cc(ccc1Cl)C(F)(F)F

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.