CAS 90734-55-7 4-tert-Butylphenoxyacetyl chloride (HCID 611195)

기본 정보

CAS: 90734-55-7
표준 SMILES: CC(C)(C)c1ccc(OCC(=O)Cl)cc1
InChIKey: CFTNMBDQWVPSHI-UHFFFAOYSA-N
분자식: C12H15ClO2
평균 분자량: 226.7 g/mol
단동위원소 질량: 226.0760574

이름 및 식별자

우선 이름: 4-tert-Butylphenoxyacetyl chloride
IUPAC: 2-(4-tert-butylphenoxy)acetyl chloride
현지명: 4-TERT-부틸페녹시아아세틸클로라이드
영어명: 4-TERT-BUTYLPHENOXYACETYL CHLORIDE
분자식: C12H15ClO2
분자량: 226.7

이름 및 동의어

4-tert-Butylphenoxyacetyl chloride90734-55-7DTXSID50346324RefChem:296444DTXCID002973972-(4-tert-butylphenoxy)acetyl chloride(4-tert-Butylphenoxy)acetyl chlorideMFCD007985682-(4-(tert-Butyl)phenoxy)acetyl chloride2-[4-(tert-butyl)phenoxy]acetyl chlorideAcetyl chloride, [4-(1,1-dimethylethyl)phenoxy]-4-tert-Butylphenoxyacetyl cloride

이름 더 보기

4-TERT-부틸페녹시아아세틸클로라이드(p-t-Butylphenoxy)acetyl Chloride4-ter-buytylphenoxyacetyl chloride(p-tert-Butylphenoxy)acetyl chloride2-(4-tert-butylphenoxy)ethanoyl chloride[4-(1,1-Dimethylethyl)phenoxy]acetyl chloride

SCHEMBL628857para-t-butylphenoxyacetyl chloride(4-t-butyl-phenoxy)acetyl chloride4-tert-butyl-phenoxyacetyl chlorideALBB-011211BBL013923STL195419AKOS000104013

데이터베이스 식별자

CAS: 90734-55-7
PubChem CID: 611195
DTXSID: DTXSID50346324
EC Number: 679-282-8

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 212

물리화학적 성질

끓는 점: 130 · 130-132°C 5mm
밀도: 1.11 g/ml · 1.11g/ml
굴절률: 1.5162 · 1.5162 (589.3 nm 20℃)
인화점: 130 · 130-132°C/5mm
물리적 상태: solid
수용성: 물과 반응합니다.
InChI: 1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3
InChIKey: CFTNMBDQWVPSHI-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(OCC(Cl)=O)cc1

안전 및 규제

GHS 분류

GHS Classification · 5건

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.