3-Chloro-4-methylphenyl isocyanate (HCID 62832)

概要

3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

名称と識別子

優先名称: 3-Chloro-4-methylphenyl isocyanate
IUPAC: 2-chloro-4-isocyanato-1-methylbenzene
現地名: イソシアン酸3-クロロ-4-メチルフェニル
英語名: 3-Chloro-4-methylphenyl isocyanate
分子式: C8H6ClNO
分子量: 167.59

名称と別名

3-Chloro-4-methylphenyl isocyanate28479-22-3Benzene, 2-chloro-4-isocyanato-1-methyl-EINECS 249-050-7DTXSID5067390EC 249-050-7RefChem:93444DTXCID9037826CHLOROMETHYLPHENYLISOCYANATE3-CHLORO-4-TOLYL ISOCYANATEISOCYANIC ACID, 3-CHLORO-P-TOLYL ESTER2-chloro-4-isocyanato-1-methylbenzene

名称をさらに表示

イソシアン酸3-クロロ-4-メチルフェニル(3-クロロ-4-メチルフェニル)イソシアナート3-クロロ-4-メチルフェニルイソシアナート2-クロロ-4-イソシアナト-1-メチルベンゼンイソシアン酸3-クロロ-4-メチルフェニル, 98%3-Chlor-p-tolylisocyanat3-chloro-p-tolyl isocyanate2-CHLORO-4-ISOCYANATO-TOLUENE3-Chloro-4-MethylPhenylIsocynate3-Chlore-4-methylphenyl isocyanateIsocyanato-3-chloro-4-methyl benzene3-Chloro-4-methylphenylIsocyanate>3-Chloro-4-methylphenyl isocyanate-98%3-Chloro-4-methylphenyl isocyanate ,99%

3-Chloro-4-methylphenylisocyanateMFCD000138582-chloro-4-isocyanato-1-methyl-benzeneIsocyanic Acid 3-Chloro-4-methylphenyl Ester3-chloro-4-methyl phenyl isocyanateSCHEMBL603733-chlor-4-methylphenylisocyanatSCHEMBL29794124

データベース識別子

CAS: 28479-22-3、51488-20-1
PubChem CID: 62832
DTXSID: DTXSID5067390
EC Number: 249-050-7
Nikkaji: J68.770G

物性

構造計算による物性

XLogP: 4.4
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 177

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree

Physical Description3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

物理化学的性質

融点: 20 · 20-24℃
沸点: 107 °C/3 · 107 °C/3 mmHg (lit.)
比重(密度): 1.224 g/mL · 1.224 g/mL at 25 °C (lit.)
蒸気圧: 13.5 Pa · 13.5Pa at 25℃
屈折率: 20 · n20/D 1.557(lit.)
闪点: 229 °F · 229 °F
貯蔵温度: 2 · 2-8°C
外見: 液体または低融点固体
色: 無色～黄色
BRN: 2690771 · 2690771
InChI: 1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChIKey: UKTKKMZDESVUEE-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Cl)N=C=O
LogP: 3.78 · 3.78
CAS データベース: 28479 · 28479-22-3(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3-Chloro-4-methylphenyl isocyanate (28479-22-3)

化学的性質

化学的特性Chloromethyl phenyl isocyanate is a colorless to yellow liquid or beige, low-melting solid. Acrid odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1895

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison

Fire Hazards · 3 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 3 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

DOT ID and Guide · 2 件

2236 156

3428 156

Reactive GroupIsocyanates and Isothiocyanates

安全と保護具

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Accidental Release Measures · 4 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Isolation and Evacuation · 3 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

安全データ

wgk: 1
tsca: TSCA listed
ridadr: UN 3428 6.1/PG II (3-CHLORO-4-METHYLPHENYL ISOCYANATE, SOLID)
hs_code: 29291090
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn
safety_code: 23-26-36/37-45
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzene, 2-chloro-4-isocyanato-1-methyl-: ACTIVE

応用分野 · 2 件

使用3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds:1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea1-(3-chloro-4-methylphenyl)-3-heptylurea1-(3-chloro-4-methylphenyl)-3-cyclooctylurea1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea

一般的な説明A colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Flash point 132°F. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.