4-tert-Butylbenzoyl chloride

SKL1279 · 4-tert-Butylbenzoyl · butylbenzoylchloride · P-T-BUTYLBENZOYL CHLORIDE · 4-TERT-BTUYLBENZOYLCHLORIDE · P-TERT-BUTYLBENZOYL CHLORIDE · 4-TERT-BUTYLBENZOYL CHLORIDE · Benzoylchloride,p-tert-butyl-

https://huagongshe.com/ko/chemical/74372

식별자 및 물리적 특성

CAS No.	1710-98-1
분자식	C11H13ClO
평균 분자량	196.67 g/mol
단동위원소 질량	196.06549272 g/mol
SMILES	CC(C)(C)c1ccc(C(=O)Cl)cc1
InChIKey	WNLMYNASWOULQY-UHFFFAOYSA-N
PubChem CID	74372
EC No.	216-973-1
DTXSID	DTXSID0061903

화학 및 물리적 성질

XLogP	4.8
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	13
형식 전하	0
복잡도	185
물질 분류	Toxic Gases & Vapors -> Acid Halides
SpringerMaterials Properties	Chemical shift
Physical Description	Clear very slightly yellow liquid[Acros Organics MSDS]
녹는점	177.5-179 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2))
끓는 점	135 °C20 mm Hg(lit.)
밀도	1.007 g/mL at 25 °C(lit.)
굴절률	n20/D 1.536(lit.)
인화점	190 °F
저장 조건	Store below +30°C.
물리적 상태	액체
색상	투명하고 무색에서 아주 약간 노란색을 띤다.
용해도	물과 반응합니다.
BRN	775793
InChI	1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
InChIKey	WNLMYNASWOULQY-UHFFFAOYSA-N
SMILES	CC(C)(C)c1ccc(cc1)C(Cl)=O
NIST	Benzoyl chloride, 4-(1,1-dimethylethyl)-(1710-98-1)
EPA	Benzoyl chloride, 4-(1,1-dimethylethyl)- (1710-98-1)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH314 (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.
유해성 요약	Reacts with water evolving hydrogen chlorideCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS] See 4-Chlorobenzoyl chloride.
Hazard Classes and Categories	Skin Corr. 1B (100%)
유해 작용	Dermatotoxin - Skin burns.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	29163900
위험 문구(R)	34-37
위험 표시	C
안전 문구(S)	26-36/37/39-45-24/25
포장분류	II
위험 등급	8Eye Dam. 1Skin Corr. 1B
F 고인화성물질	9-21
저장 분류	8A - Combustible corrosive hazardous materials

용도

4-tert-Butylbenzoyl chloride is used as a reactant in the preparation of multi-branched structures based on triphenylamine for enhanced two-photon absorption.

일반 설명

AlCl3 promoted Friedel-Crafts acylation of 4-tert-butylbenzoyl chloride with mesitylene was investigated.