벤조일클로라이드,2,5-디메틸-(6CI,7CI,8CI,9CI)

2,5-Dimethylbenzoyl chloride

HCID 12351885

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22328-43-4
표준 SMILES: Cc1ccc(C)c(C(=O)Cl)c1
InChIKey: MGBRPGMQNVRQCG-UHFFFAOYSA-N
분자식: C9H9ClO
평균 분자량: 168.62 g/mol
단동위원소 질량: 168.0341926

이름 및 식별자

우선 이름: 2,5-Dimethylbenzoyl chloride
IUPAC: 2,5-dimethylbenzoyl chloride
현지명: 벤조일클로라이드,2,5-디메틸-(6CI,7CI,8CI,9CI)
영어명: Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

2,5-Dimethylbenzoyl chloride22328-43-4DTXSID50493387RefChem:247612DTXCID50444197824-139-92,5-dimethylbenzoylchlorideMFCD00045218Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)SCHEMBL1311663MGBRPGMQNVRQCG-UHFFFAOYSA-NALBB-034794

이름 더 보기

벤조일클로라이드,2,5-디메틸-(6CI,7CI,8CI,9CI)BENZOYL CHLORIDE,2,5-DIMETHYL-

XAA32843AKOS007930321FS-50222,5-dimethyl-1-benzenecarbonyl chlorideDB-355300EN300-78737F81616F062603

데이터베이스 식별자

CAS: 22328-43-4
PubChem CID: 12351885
DTXSID: DTXSID50493387
EC Number: 824-139-9

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 239.3 · 239.3±9.0 °C(Predicted)
밀도: 1.136 · 1.136±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.