ジイソシアン酸1,3-フェニレン

1,3-Diisocyanatobenzene

HCID 31262CAS 123-61-5

基本情報

標準SMILES
O=C=Nc1cccc(N=C=O)c1
InChIKey
VGHSXKTVMPXHNG-UHFFFAOYSA-N
分子式
C8H4N2O2
平均分子量
160.13 g/mol
単同位体質量
160.02727737

名称と識別子

優先名称
1,3-Diisocyanatobenzene
IUPAC
1,3-diisocyanatobenzene
現地名
ジイソシアン酸1,3-フェニレン
英語名
1,3-Phenylene diisocyanate
分子式
C8H4N2O2
分子量
160.13

名称と別名

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
名称をさらに表示
ジイソシアン酸1,3-フェニレンm-フェニレンジイソシアナート(1,3-フェニレン)ビスイソシアナートナッコナート4001,3-ジイソシアナトベンゼン1,3-フェニレンジイソシアナートジイソシアン酸M-フェニレン1,3-フェニレンジイソシアネートnacconate400m-phenyleneisocyanate1,3-diisocyanato-benzen
EINECS 204-637-7B44H9MFH1SBRN 0776957AI3-28286NSC-511721DTXSID9044792mPhenylene isocyanateBenzene, mdiisocyanato

データベース識別子

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

物性

構造計算による物性

XLogP
3.5
極性表面積
58.9 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
12

実験および物理化学的性質

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

物理化学的性質

融点
49 · 49-51 °C(lit.)
沸点
121 °C25 · 121 °C25 mm Hg(lit.)
比重(密度)
1.3848 · 1.3848 (rough estimate)
屈折率
1.49 · 1.4900 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性White to off-white fused solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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 · 1 件

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 · 1 件

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)].

安全と保護具

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)]:

毒性情報

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

安全データ

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

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

サプライヤー50 社

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]

関連反応

16 件

関連ノート

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