4-Butylbenzoyl chloride

HCID 120049CAS 28788-62-7

기본 정보

표준 SMILES: CCCCc1ccc(C(=O)Cl)cc1
InChIKey: OUOWCSJYDCPVDM-UHFFFAOYSA-N
분자식: C11H13ClO
평균 분자량: 196.67 g/mol
단동위원소 질량: 196.06549272

이름 및 식별자

우선 이름: 4-Butylbenzoyl chloride
IUPAC: 4-butylbenzoyl chloride
영어명: 4-n-Butylbenzoyl chloride
분자식: C11H13ClO
분자량: 196.67

이름 및 동의어

4-Butylbenzoyl chlorideBenzoyl chloride, 4-butyl-4-n-Butylbenzoyl chloridep-Butylbenzoyl chlorideEINECS 249-224-2DTXSID1067413RefChem:98252DTXCID4037871249-224-2OUOWCSJYDCPVDM-UHFFFAOYSA-N28788-62-7MFCD00000699

이름 더 보기

4-butyl-benzoylchlorid4-butylbenzeneformylchloro4-Butylbenzoyl Chloride >4-Butylbenzoyl chloride,99%4-Butylbenzoic acid chloride

4-n-Butylbenzoylchloride4-N-ButYl-Benzoyl Chloride4-(But-1-yl)benzoyl chloride4-butylbenzoylchloridep-n-butyl benzoylchloridep-n-butylbenzoyl chloride4-1-butylbenzoyl chloride4-n-butyl benzoyl chloride

데이터베이스 식별자

CAS: 28788-62-7
PubChem CID: 120049
DTXSID: DTXSID1067413
EC Number: 249-224-2
Nikkaji: J32.728J

물성

구조 계산 물성

XLogP: 5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 155 · 155-156 °C22 mm Hg(lit.)
밀도: 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5351(lit.)
인화점: 230 °F · >230 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.051 · 1.051
수용성: 물과 반응합니다.
InChI: 1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChIKey: OUOWCSJYDCPVDM-UHFFFAOYSA-N
SMILES: CCCCc1ccc(cc1)C(Cl)=O
EPA: 4 · Benzoyl chloride, 4-butyl- (28788-62-7)

화학적 성질

CLEAR 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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.