1,3-Diisocyanatobenzene

HCID 31262CAS 123-61-5

기본 정보

표준 SMILES
O=C=Nc1cccc(N=C=O)c1
InChIKey
VGHSXKTVMPXHNG-UHFFFAOYSA-N
분자식
C8H4N2O2
평균 분자량
160.13 g/mol
단동위원소 질량
160.02727737

이름 및 식별자

우선 이름
1,3-Diisocyanatobenzene
IUPAC
1,3-diisocyanatobenzene
영어명
1,3-Phenylene diisocyanate
분자식
C8H4N2O2
분자량
160.13

이름 및 동의어

1,3-Phenylene diisocyanate123-61-51,3-DiisocyanatobenzeneBenzene, 1,3-diisocyanato-m-Phenylene diisocyanateBenzene 1,3-diisocyanateNacconate 400m-Phenylene isocyanateBenzene, m-diisocyanato-Benzene-1,3-diisocyanateISOCYANIC ACID, m-PHENYLENE ESTERNSC 511721
이름 더 보기
nacconate400m-phenyleneisocyanate1,3-diisocyanato-benzen
EINECS 204-637-7B44H9MFH1SBRN 0776957AI3-28286NSC-511721DTXSID9044792mPhenylene isocyanateBenzene, mdiisocyanato

데이터베이스 식별자

CAS
123-61-5
PubChem CID
31262
DTXSID
DTXSID9044792
UNII
B44H9MFH1S
EC Number
204-637-7
Nikkaji
J49.698G

물성

구조 계산 물성

XLogP
3.5
극성 표면적
58.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Diisocyanates
Physical DescriptionWhite solid with an irritating odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
49 · 49-51 °C(lit.)
끓는 점
121 °C25 · 121 °C25 mm Hg(lit.)
밀도
1.3848 · 1.3848 (rough estimate)
굴절률
1.49 · 1.4900 (estimate)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C

화학적 성질

White to off-white fused solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Hazards Summary · 1건

Intravenous LD50 (mouse) = 5,600 mg/kg; [RTECS] Hydrolyzed by water; A skin and strong eye irritant; May cause respiratory sensitization; Toxic by ingestion and inhalation; [Alfa Aesar MSDS] A lachrymator; [Sigma-Aldrich MSDS] See DIISOCYANATES.

Reactive GroupIsocyanates and Isothiocyanates
Reactivity Profile · 1건

Isocyanates and thioisocyanates, such as 1,3-PHENYLENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

안전 및 보호

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

독성 정보

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
NR0150000
ridadr
UN 2810 6.1/PG 3
독성
LD50 ivn-mus: 5600 mg/kg CSLNX* NX#07804
HS 번호
29291000

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,3-diisocyanato-: ACTIVE

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

16건

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