3-(Trifluoromethyl)benzoyl chloride (HCID 75257)

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzoyl chloride
IUPAC: 3-(trifluoromethyl)benzoyl chloride
영어명: 3-(Trifluoromethyl)benzoyl chloride
분자식: C8H4ClF3O
분자량: 208.57

이름 및 동의어

3-(Trifluoromethyl)benzoyl chloride2251-65-2m-(Trifluoromethyl)benzoyl chlorideBenzoyl chloride, 3-(trifluoromethyl)-m-Trifluoromethylbenzoyl chloride3-trifluoromethylbenzoyl chlorideEINECS 218-844-5NSC 88307DTXSID2062294RUJYJCANMOTJMO-UHFFFAOYSA-RefChem:92750DTXCID5036715

이름 더 보기

MTF-BOCCLIN-052TIMTEC-BB SBB006693trifluoromethylbenzoyl chloridem-Trifluiromethylbenzoyl chloride3-(trifluoromethyl)-benzoylchloridà,à,à-trifluoro-m-toluoyl chloride3-(Chlorocarbonyl)benzotrifluoride

InChI=1/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4HRUJYJCANMOTJMO-UHFFFAOYSA-Nalpha,alpha,alpha-Trifluoro-m-toluoyl chlorideMFCD00000680L4BVG73ZFZm-Toluoyl chloride, alpha,alpha,alpha-trifluoro-NSC-883073-(trifluoromethyl)benzoylchloride

데이터베이스 식별자

CAS: 2251-65-2
PubChem CID: 75257
DTXSID: DTXSID2062294
UNII: L4BVG73ZFZ
EC Number: 218-844-5
Nikkaji: J213.144G

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 184 · 184-186 °C/750 mmHg (lit.)
밀도: 1.383 g/mL · 1.383 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.477(lit.)
인화점: 230 °F · >230 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 액체
Specific Gravity: 1.383 · 1.383
색상: 맑은 연한 노란색
수용성: 물에서 분해되다
BRN: 391266 · 391266
InChI: InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H
InChIKey: RUJYJCANMOTJMO-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=CC(C(F)(F)F)=C1
NIST: 3 · 3-(Trifluoromethyl)benzoyl chloride(2251-65-2)
EPA: 3 · Benzoyl chloride, 3-(trifluoromethyl)- (2251-65-2)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29163990
risk_code: 34-37-29
hazard_code: C
safety_code: 26-36/37/39-45-8
포장분류: II
위험 등급: 8
기존화학 물질: KE-34253
F 고인화성물질: 19-21
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoyl chloride, 3-(trifluoromethyl)-: ACTIVE

응용 분야

용도3-(Trifluoromethyl)benzoyl chloride has been used in the preparation of intermediates, required for synthesis of C-2 and C-3 substituted pyrazolo[1,5-a]pyrimidines.