alpha-Chloro-o-xylene (HCID 11093)

概要

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.

名称と識別子

優先名称: alpha-Chloro-o-xylene
IUPAC: 1-(chloromethyl)-2-methylbenzene
現地名: α-クロロ-o-キシレン
英語名: 2-Methylbenzyl chloride
分子式: C8H9Cl
分子量: 140.61

名称と別名

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

名称をさらに表示

α-クロロ-o-キシレンo-キシリルクロリド2-メチルベンジルクロリド1-メチル-2-(クロロメチル)ベンゼンω-クロロ-o-キシレンo-メチルベンジルクロリド1-クロロメチル-2-メチルベンゼン(o-トリルメチル)クロリド2-(クロロメチル)トルエン1-(クロロメチル)-2-メチルベンゼンオルト‐メチルベンジルクロリドΑ‐クロロ‐O‐キシレン塩化2-メチルベンジルo-塩化(メチルベンジル)2-methylbenzylMBCOXCL12-MBCO-XYLYL CHLORIDEAKOS BBS-00003859A-CHLORO-O-XYLENEà-chloro-o-xylene

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 80.6

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Color/FormLIQUID

Solubility · 2 件

PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL

SOL IN ALL PROP WITH ACETONE, ETHER

Flash Point165 °F

Boiling Point195-203 °C

物理化学的性質

融点: -2 °C · -2 °C
沸点: 197 · 197-199 °C(lit.)
比重(密度): 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.541(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Ether
外見: 液体
色: 無色透明～薄黄色
Merck: 14 · 14,10091
BRN: 386016 · 386016
安定性: 安定。可燃性。強力な酸化剤、塩基、アルコール、アミンとは相容れない。鋼に対して腐食性。
InChI: 1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey: VQRBXYBBGHOGFT-UHFFFAOYSA-N
SMILES: Cc1ccccc1CCl
CAS データベース: 552 · 552-45-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-(chloromethyl)-2-methyl-(552-45-4)
EPAの化学物質情報: o-(Chloromethyl)toluene (552-45-4)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 2 件

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

安全と保護具

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)]:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Human Toxicity Excerpts · 2 件

/IT IS A/ POWERFUL LACRIMATOR.

STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/

安全データ

F: 19
wgk: 2
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29036990
risk_code: 34-36/37/38-22
化審法: (3)-2691
消防法: 危-4-3-III
hazard_code: C,Xn
hazard_note: Harmful/Corrosive
safety_code: 26-36/37/39-45-37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials
有毒物質データの: 552-45-4(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

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

応用分野 · 2 件

用途抗線虫剤としてのキシレン誘導体

一般的な説明A 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.