3-메톡시벤질클로라이드

3-Methoxybenzyl chloride

HCID 69994CAS 824-98-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(CCl)c1
InChIKey: VGISFWWEOGVMED-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: 3-Methoxybenzyl chloride
IUPAC: 1-(chloromethyl)-3-methoxybenzene
현지명: 3-메톡시벤질클로라이드
영어명: 3-Methoxybenzyl chloride
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

3-Methoxybenzyl chloride1-(Chloromethyl)-3-methoxybenzenem-(Chloromethyl)anisolem-Methoxybenzyl chlorideAnisole, m-(chloromethyl)-Toluene, .alpha.-chloro-m-methocy-EINECS 212-541-1.alpha.-Chloro-3-methoxytolueneDTXSID80231719NSC 268684RefChem:94634alpha-Chloro-3-methoxytoluene

이름 더 보기

3-메톡시벤질클로라이드AKOS BBS-000038623-Methoxybenzyl chlo3-CHLOROMETHYLANISOLE3-methoxychlorobenzyl3-Methoxybenzalchloridea-Chloro-m-methoxytolueneMETA-(CHLOROMETHYL)ANISOL

DTXCID60154210Toluene, alpha-chloro-m-methocy-212-541-1InChI=1/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1HVGISFWWEOGVMED-UHFFFAOYSA-N824-98-63-(Chloromethyl)anisoleBenzene, 1-(chloromethyl)-3-methoxy-

데이터베이스 식별자

CAS: 824-98-6
PubChem CID: 69994
DTXSID: DTXSID80231719
UNII: NAG2TC49EB
EC Number: 212-541-1
Nikkaji: J134.894I

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: 101.67 °C · 101.67°C
끓는 점: 124 °C13 · 124 °C13 mm Hg(lit.)
밀도: 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 215 °F · 215 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.157 · 1.157 (20/4℃)
BRN: 636684 · 636684
InChI: 1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey: VGISFWWEOGVMED-UHFFFAOYSA-N
SMILES: COc1cccc(CCl)c1
NIST: -3 · «alpha»-Chloro-3-methoxytoluene(824-98-6)

화학적 성질

clear colorless to light 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 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information3-Methoxybenzyl chloride: 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: 1
ridadr: UN 3265 8/PG 2
HS 번호: 29093090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 19-21
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도3-Methoxybenzyl chloride was used to alkylate 8-benzyloxy-2(1H)-quinolinone in the presence of DMF and NaH. It was also used in the synthesis of diarylmethanes via in situ organozinc-mediated, palladium-catalyzed cross-coupling between benzyl and aryl halide.

상·하류 제품 정보

상류 원료

Benzenemethanol, 3-methoxy-, 1-methansulfonate Benzenemethanol, 3-methoxy-, 1-(4-methylbenzenesulfonate)1-(디메톡시메틸)-3-메톡시벤젠 3-히드록시벤즈알데히드 4-포르밀모폴린 염소(기체)디메틸설페이트 m-Anisyl alcohol 3-메틸아니솔 엠-아니스알데히드

하류 제품

Benzene, 1-(ethoxymethyl)-3-methoxy-아세트산 메틸 ethyl 3-(3-methoxyphenyl)-2,2-dimethylpropanoate (((4-Methoxycyclohex-3-en-1-yl)oxy)methyl)benzene Potassium Trifluoro(3-methoxybenzyl)borate

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

怀化宝华生物科技有限公司0519-82698292 · [email protected]

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