3,4,5-TRIFLUOROBENZOYL염화물

3,4,5-Trifluorobenzoyl chloride

HCID 2777023

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 177787-26-7
표준 SMILES: O=C(Cl)c1cc(F)c(F)c(F)c1
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
분자식: C7H2ClF3O
평균 분자량: 194.54 g/mol
단동위원소 질량: 193.9746269

이름 및 식별자

우선 이름: 3,4,5-Trifluorobenzoyl chloride
IUPAC: 3,4,5-trifluorobenzoyl chloride
현지명: 3,4,5-TRIFLUOROBENZOYL염화물
영어명: 3,4,5-Trifluorobenzoyl chloride
분자식: C7H2ClF3O
분자량: 194.54

이름 및 동의어

3,4,5-Trifluorobenzoyl chloride3,4,5-trifluorobenzoylchloride17787-26-7DTXSID60938991RefChem:485709DTXCID601367504623-691-6671-453-5177787-26-7Benzoyl chloride, 3,4,5-trifluoro-MFCD00083526starbld0001660

이름 더 보기

3,4,5-TRIFLUOROBENZOYL염화물SKL1228Lasmiditan Impurity 503,4,5-Trifluorobenzoyl chloride 97%Benzoyl chloride, 3,4,5-trifluoro- (9CI)

3 4 5-TRIFLUOROBENZOYL CHLORIDE 97SCHEMBL193908PS-10696D94577Benzoyl chloride,3,4,5-trifluoro-FT-0614142A8122977-(5-amino-5-carboxyvaleramido)cephalosporanicacid

데이터베이스 식별자

CAS: 177787-26-7、17787-26-7
PubChem CID: 2777023
DTXSID: DTXSID60938991
EC Number: 623-691-6、671-453-5
Nikkaji: J3.588.010K

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 122 · 122-123℃
끓는 점: 173 · 173-174 °C (lit.)
밀도: 1.485 g/mL · 1.4850 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4900(lit.)
인화점: 154 °F · 154 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
색상: Clear, faint yellow
InChI: 1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
SMILES: Fc1cc(cc(F)c1F)C(Cl)=O

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and Categories · 2건

Skin Corr. 1B (100%)；Eye Dam. 1 (100%)

Skin Corr. 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 2916399090
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3,4,5-Trifluorobenzoyl chloride may be used as one of the reactant to synthesize 3,4,5-trifluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-pyridin-2-ylbenzamide.