2-메톡시벤질클로라이드

2-(Chloromethyl)anisole

HCID 81495CAS 7035-02-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1CCl
InChIKey: UAWVMPOAIVZWFQ-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: 2-(Chloromethyl)anisole
IUPAC: 1-(chloromethyl)-2-methoxybenzene
현지명: 2-메톡시벤질클로라이드
영어명: 2-Methoxybenzyl chloride
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

2-Methoxybenzyl chloride7035-02-12-(Chloromethyl)anisoleo-Methoxybenzyl chlorideBenzene, 1-(chloromethyl)-2-methoxy-DTXSID80220628EINECS 230-312-4RefChem:460353DTXCID10143119230-312-41-(Chloromethyl)-2-methoxybenzene2-methoxybenzylchloride

이름 더 보기

2-메톡시벤질클로라이드o-Methoxybenzylchloride2-Methoxybenzyl chloride ,98%2-Methoxybenzyl chloride, stabilized, 98%2-Methoxybenzyl chloride, 98%, stabilized2-Methoxybenzyl chloride, 98%, for synthesis2-Methoxybenzyl chloride2-(Chloromethyl)anisole

1-(Chloromethyl)-2-methoxy-benzeneMFCD00060276o-anisyl chlorideChloromethylanisole2-methoxy benzyl chloride2-methoxy-benzyl chlorideortho-methoxybenzylchlorideAnisole, o-(chloromethyl)-

데이터베이스 식별자

CAS: 7035-02-1
PubChem CID: 81495
DTXSID: DTXSID80220628
UNII: EU25Y8M35F
EC Number: 230-312-4
Nikkaji: J227.344F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

녹는점: 28.3 · 28.3-29.8 °C(lit.)
끓는 점: 122 · 122-124 °C26 mm Hg(lit.)
밀도: 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.549(lit.)
인화점: 210 °F · 210 °F
저장 조건: Refrigerator (+4°C)
NIST: 1 · Benzene, 1-(chloromethyl)-2-methoxy-(7035-02-1)

화학적 성질

Clear 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationBenzene, 1-(chloromethyl)-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 3
HS 번호: 29093090
risk_code: 34
hazard_code: C
safety_code: 26-27-36-45-36/37/39
위험 등급: CORROSIVE

화학 및 산업

응용 분야 · 1건

용도1-(Chloromethyl)-2-methoxy-benzene is used in the synthesis of indole derivatives in the preparation of anti-cancer agents. Also used to synthesize potent and selective antagonists for the receptor CX3XR1 involved in the treatment of multiple sclerosis.