Benzyloxyacetyl chloride

HCID 177085

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19810-31-2
표준 SMILES: O=C(Cl)COCc1ccccc1
InChIKey: QISAUDWTBBNJIR-UHFFFAOYSA-N
분자식: C9H9ClO2
평균 분자량: 184.62 g/mol
단동위원소 질량: 184.02910721

이름 및 식별자

우선 이름: Benzyloxyacetyl chloride
IUPAC: 2-phenylmethoxyacetyl chloride
영어명: Benzyloxyacetyl chloride
분자식: C9H9ClO2
분자량: 184.62

이름 및 동의어

Benzyloxyacetyl chlorideRefChem:566976629-534-819810-31-22-(benzyloxy)acetyl chloride2-phenylmethoxyacetyl chlorideBenzyloxy acetyl chloride(benzyloxy)acetyl chlorideAcetyl chloride, 2-(phenylmethoxy)-MFCD000107682-benzyloxyacetyl chloridebenzyloxyacetic acid chloride

이름 더 보기

oxyacetyLBenzyloxyacetyl chloride 95%Benzyloxyacetyl chloride ,95%(Benzyloxy)acetic acid chloride2-(Phenylmethoxy)-acetyl chloride2-(Benzyloxy)acetic acid chloride

benzyloxy acetylchloride(benzyloxy)acetylchloride2-(benzyloxy)acetylchloride2-benzyloxy acetyl chlorideBenzyloxyacetylchlorideACETYL CHLORIDE, (PHENYLMETHOXY)-AMY15053BnOCH2COCl

데이터베이스 식별자

CAS: 19810-31-2
PubChem CID: 177085
DTXSID: DTXSID00941641
EC Number: 629-534-8
Nikkaji: J275.931D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 120 °C · 120 °C (decomp)
끓는 점: 84 · 84-87 °C/0.4 mmHg (lit.)
밀도: 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.523(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 분말 또는 결정체
색상: 하얀색
수용성: 물과 반응합니다.
BRN: 1947363 · 1947363
InChI: InChI=1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: QISAUDWTBBNJIR-UHFFFAOYSA-N
SMILES: C(Cl)(COCC1=CC=CC=C1)=O

화학적 성질

Colorless to 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29189900
risk_code: 14-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-19
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Benzyloxyacetyl chloride is a reagent used to construct substituted 2-azetidinones for further elaboration into annulated β-lactams. It is a commonly employed reagent for asymmetric synthesis of β-lactams. It is also used in preparation of (S)-3-(methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile, key intermediate in the preparation of fluoroquinolone antibiotic for respiratory tract infections, non-racemic helicene and β-lactams.