클로로오르소크실렌

alpha-Chloro-o-xylene

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기본 정보

CAS: 552-45-4
표준 SMILES: Cc1ccccc1CCl
InChIKey: VQRBXYBBGHOGFT-UHFFFAOYSA-N
분자식: C8H9Cl
평균 분자량: 140.61 g/mol
단동위원소 질량: 140.03927797

개요

O-methylbenzyl chloride appears as a colorless to pale-yellow colored liquid with a pungent odor. Insoluble in water. Slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

이름 및 식별자

우선 이름: alpha-Chloro-o-xylene
IUPAC: 1-(chloromethyl)-2-methylbenzene
현지명: 클로로오르소크실렌
영어명: 2-Methylbenzyl chloride
분자식: C8H9Cl
분자량: 140.61

이름 및 동의어

2-Methylbenzyl chloride1-(Chloromethyl)-2-methylbenzeneALPHA-CHLORO-O-XYLENEo-Methylbenzyl chlorideBenzene, 1-(chloromethyl)-2-methyl-DTXSID5044441.alpha.-Chloro-o-xyleneUNII-EQT3V044TWEQT3V044TWHSDB 2681EINECS 209-013-8.alpha.-Chloro-ortho-xylene

이름 더 보기

클로로오르소크실렌알파-클로로-O-자일렌2-methylbenzylMBCOXCL12-MBCO-XYLYL CHLORIDEAKOS BBS-00003859A-CHLORO-O-XYLENEà-chloro-o-xylene

1-methyl-2-chloromethylbenzene99765-61-4DTXCID3024441oXylyl chlorideomegaChlorooxyleneoXylylalphachlorideoXylene, alphachlorooMethylbenzyl chloride

데이터베이스 식별자

CAS: 552-45-4、99765-61-4
PubChem CID: 11093
DTXSID: DTXSID5044441
ChEMBL: CHEMBL3183322
UNII: EQT3V044TW
EC Number: 209-013-8
Nikkaji: J2.652B

물성

구조 계산 물성보충 중

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Color/FormLIQUID

Solubility · 2건

PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL

SOL IN ALL PROP WITH ACETONE, ETHER

Flash Point165 °F

Boiling Point195-203 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H290 (76.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 191 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1-(chloromethyl)-2-methyl-

Status: Active Update: 14-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21327

DOT LabelCombustible Liquid

Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Hazards SummaryPowerful lachrymator; [Merck Index] Toxic by inhalation, ingestion, and skin absorption; [CAMEO] Corrosive; Causes burns; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]

Reactive GroupHalogenated Organic Compounds

화학 및 산업

용도 및 제조

Uses · 2건

Used to make nematocides; [HSDB]

XYLENE DERIVATIVES AS NEMATOCIDES

Methods of Manufacturing...SIMILAR TO THAT OF M-ISOMER: RABJOHN, J AM CHEM SOC 76, 5479 (1954). /M-XYLYL CHLORIDE IS PREPARED FROM M-XYLENE & SULFURYL CHLORIDE: VAN ZANTEN, NAUTA, REC TRAV CHIM 79, 1211 (1960)./

General Manufacturing InformationBenzene, 1-(chloromethyl)-2-methyl-: ACTIVE

응용 분야 · 1건

일반 설명A colorless to pale-yellow colored liquid with a pungent odor. Insoluble in water. Slightly denser than water. Flash point 165°F. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

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기본 정보

CAS: 552-45-4
표준 SMILES: Cc1ccccc1CCl
InChIKey: VQRBXYBBGHOGFT-UHFFFAOYSA-N
분자식: C8H9Cl
평균 분자량: 140.61 g/mol
단동위원소 질량: 140.03927797

개요