기본 정보
- 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 물성
- XLogP
- 2.9
- 극성 표면적
- 0 Ų
- 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
PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL
SOL IN ALL PROP WITH ACETONE, ETHER
Flash Point165 °F
Boiling Point195-203 °C
DecompositionSEE M-XYLYL CHLORIDE. DANGEROUS... /M-XYLYL CHLORIDE/. SEE CHLORIDES. ...WHEN HEATED TO DECOMP OR ON CONTACT WITH ACIDS OR ACID FUMES THEY EVOLVE HIGHLY TOXIC CHLORIDE FUMES. SOME ORG CHLORIDES DECOMP TO YIELD PHOSGENE. /CHLORIDES/
Refractive Index
INDEX OF REFRACTION: 1.5391 @ 20 °C/D
INDEX OF REFRACTION: 1.5410 @ 20 °C/D
Physical Description
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.
A colorless to pale-yellow colored liquid with a pungent odor; [CAMEO]
물리화학적 성질
- 녹는점
- -2 °C · -2 °C
- 끓는 점
- 197 · 197-199 °C(lit.)
- 밀도
- 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.541(lit.)
- 인화점
- 165 °F · 165 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- soluble in Ether
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- Merck
- 14 · 14,10091
- BRN
- 386016 · 386016
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 염기, 알코올, 아민과 호환되지 않습니다. 강철을 부식시킵니다.
- InChI
- 1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
- InChIKey
- VQRBXYBBGHOGFT-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1CCl
- NIST
- 1 · Benzene, 1-(chloromethyl)-2-methyl-(552-45-4)
- EPA
- o-(Chloromethyl)toluene (552-45-4)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
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
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
Reactivity ProfileO-METHYLBENZYL CHLORIDE is rapidly decomposed when heated in the presence of iron.
Air and Water ReactionsBecause of its insolubility it doesn't react vigorously with water, although it does generate annoying levels of hydrogen chloride fumes.
Hazard Classes and Categories
Met. Corr. 1 (76.4%)
Flammable liquids - Category 4
안전 및 보호
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
/IT IS A/ POWERFUL LACRIMATOR.
STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29036990
- risk_code
- 34-36/37/38-22
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45-37/39
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 19
- 위험 참고 사항
- Harmful/Corrosive
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 552-45-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
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
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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