5-Fluoro-2-methylbenzoyl chloride

HCID 2737383

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21900-39-0
표준 SMILES: Cc1ccc(F)cc1C(=O)Cl
InChIKey: HBAQRSDZSVESSF-UHFFFAOYSA-N
분자식: C8H6ClFO
평균 분자량: 172.58 g/mol
단동위원소 질량: 172.00912071

이름 및 식별자

우선 이름: 5-Fluoro-2-methylbenzoyl chloride
IUPAC: 5-fluoro-2-methylbenzoyl chloride
영어명: 5-Fluoro-2-methylbenzoyl chloride
분자식: C8H6ClFO
분자량: 172.58

이름 및 동의어

5-Fluoro-2-methylbenzoyl chloride21900-39-0DTXSID70372029RefChem:303165DTXCID80323062624-324-25-fluoro-2-methylbenzoylchlorideMFCD002366815-Fluoro-2-Methyl-Benzoyl ChlorideSCHEMBL1364589Colorless to light yellow liquid2-methyl-5-fluorobenzoyl chloride

이름 더 보기

SKL1240LIXI-0045-Fluoro-2-methylbenzoyl5-Fluoro-o-toluoyl chloride5-Fluoro-2-methylbenzoylchloride97%Benzoyl chloride, 5-fluoro-2-methyl-5-Fluoro-o-toluoyl chloride (COCl=1)5-Fluoro-2-methylbenzoyl chloride 97%

5-Fluoro-2-methyl benzoylchloride5-Fluoro-2-methyl benzoyl chloride5-fluoro-2-methyl -benzoyl chlorideSBB088706AKOS0091576755-Fluoro-2-methylbenzoyl chloride, 97%AS-47811DB-045724

데이터베이스 식별자

CAS: 21900-39-0
PubChem CID: 2737383
DTXSID: DTXSID70372029
EC Number: 624-324-2

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 108 °C/24 · 108 °C/24 mmHg (lit.)
밀도: 1.27 g/mL · 1.270 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 188 °F · 188 °F
저장 조건: Keep Cold
물리적 상태: 액체
색상: Clear, faint yellow
BRN: 2574820 · 2574820
InChI: 1S/C8H6ClFO/c1-5-2-3-6(10)4-7(5)8(9)11/h2-4H,1H3
InChIKey: HBAQRSDZSVESSF-UHFFFAOYSA-N
SMILES: Cc1ccc(F)cc1C(Cl)=O

화학적 성질

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 2 notifications to the ECHA C&L Inventory.