3,5-Bis(trifluoromethyl)benzoyl chloride

HCID 101856CAS 785-56-8

기본 정보

표준 SMILES: O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: WAKMMQSMEDJRRI-UHFFFAOYSA-N
분자식: C9H3ClF6O
평균 분자량: 276.56 g/mol
단동위원소 질량: 275.97766172

이름 및 식별자

우선 이름: 3,5-Bis(trifluoromethyl)benzoyl chloride
IUPAC: 3,5-bis(trifluoromethyl)benzoyl chloride
영어명: 3,5-Bis(trifluoromethyl)benzoyl chloride
분자식: C9H3ClF6O
분자량: 276.56

이름 및 동의어

3,5-Bis(trifluoromethyl)benzoyl chloride785-56-8Benzoyl chloride, 3,5-bis(trifluoromethyl)-3,5-di(Trifluoromethyl)benzoyl chlorideEINECS 212-322-0WAKMMQSMEDJRRI-UHFFFAOYSA-DTXSID30229126RefChem:91386DTXCID50151617212-322-0InChI=1/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3HWAKMMQSMEDJRRI-UHFFFAOYSA-N

이름 더 보기

MBT-BOCSKL1270TIMTEC-BB SBB006571Benzoyl Chloride, 33,5-BIS(TRIFLUOROMETHYL)BENZOYCHLORIDE3,5-Bis(trifluoromethyl)benzoylchloride98%3,5-Bis(trifluoromethyl)benzoyl chloride,97%

3,5-bis(trifluoromethyl)benzoylchlorideMFCD000003873,5-bis-trifluoromethylbenzoyl chlorideSCHEMBL322157STR04378SBB0065713,5-bis-trifluoromethylbenzoylchloride3,5-bistrifluoromethyl benzoylchloride

데이터베이스 식별자

CAS: 785-56-8
PubChem CID: 101856
DTXSID: DTXSID30229126
EC Number: 212-322-0
Nikkaji: J193.176H

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 275

물리화학적 성질

녹는점: 5 · 5-10C
끓는 점: 65 · 65-67 °C (12 mmHg)
밀도: 1.526 g/mL · 1.526 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.435(lit.)
인화점: 162 °F · 162 °F
저장 조건: Store at room temperature, keep dry and cool
물리적 상태: 액체
Specific Gravity: 1.526 · 1.526 (20/4℃)
색상: 투명하고 무색에서 아주 약간 노란색을 띤다.
BRN: 2593440 · 2593440
InChI: 1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
InChIKey: WAKMMQSMEDJRRI-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(Cl)=O

화학적 성질

clear colorless to very slightly 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 47 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
ridadr: UN 3265 8/PG 2
HS 번호: 29163990
risk_code: 34-37-36
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
F 고인화성물질: 10-19-21
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3,5-Bis(trifluoromethyl)benzoyl chloride was used in the quantitative and selective assay for the measurement of low levels of clonidine in human plasma.