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

개요

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.

이름 및 식별자

우선 이름: 3-Chloro-4-methylphenyl isocyanate
IUPAC: 2-chloro-4-isocyanato-1-methylbenzene
영어명: 3-Chloro-4-methylphenyl isocyanate
분자식: C8H6ClNO
분자량: 167.59

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 177

실험 및 물리화학적 성질

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.

물리화학적 성질

녹는점: 20 · 20-24℃
끓는 점: 107 °C/3 · 107 °C/3 mmHg (lit.)
밀도: 1.224 g/mL · 1.224 g/mL at 25 °C (lit.)
증기압: 13.5 Pa · 13.5Pa at 25℃
굴절률: 20 · n20/D 1.557(lit.)
인화점: 229 °F · 229 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체 또는 저융점 고체
색상: 무색~황색
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
EPA: 3 · 3-Chloro-4-methylphenyl isocyanate (28479-22-3)

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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 · 3건

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

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

Health Hazards · 3건

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 · 2건

2236 156

3428 156

Reactive GroupIsocyanates and Isothiocyanates

안전 및 보호

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

Accidental Release Measures · 4건

· 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 · 3건

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

General First Aid:

Exposure Control and Personal Protection · 2건

· 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 · 3건

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

Immediate precautionary measure

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3428 6.1/PG II (3-CHLORO-4-METHYLPHENYL ISOCYANATE, SOLID)
HS 번호: 29291090
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn
safety_code: 23-26-36/37-45
포장분류: II
위험 등급: 6.1
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
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도3-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

일반 설명A 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.