m-Phenylendiisocyanat

1,3-Diisocyanatobenzene

HCID 31262CAS 123-61-5

Grundinformationen

Standard-SMILES
O=C=Nc1cccc(N=C=O)c1
InChIKey
VGHSXKTVMPXHNG-UHFFFAOYSA-N
Summenformel
C8H4N2O2
Durchschnittliche Molmasse
160,13 g/mol
Monoisotopische Masse
160,02727737

Namen und Bezeichner

Bevorzugter Name
1,3-Diisocyanatobenzene
IUPAC
1,3-diisocyanatobenzene
Lokaler Name
m-Phenylendiisocyanat
Englischer Name
1,3-Phenylene diisocyanate
Summenformel
C8H4N2O2
Molmasse
160.13

Namen und Synonyme

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
Weitere Namen anzeigen
nacconate400m-phenyleneisocyanate1,3-diisocyanato-benzen
EINECS 204-637-7B44H9MFH1SBRN 0776957AI3-28286NSC-511721DTXSID9044792mPhenylene isocyanateBenzene, mdiisocyanato

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
58,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
49 · 49-51 °C(lit.)
Siedepunkt
121 °C25 · 121 °C25 mm Hg(lit.)
Dichte
1.3848 · 1.3848 (rough estimate)
Brechungsindex
1.49 · 1.4900 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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 Eintrag

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 Eintrag

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)].

Sicherheit und Schutzausrüstung

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)]:

Toxikologische Informationen

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 3
hs_code
29291000
RTECS-Nr.
NR0150000
risk_code
20/21/22-36/37/38-42

Chemie und Industrie

Verwendung und Herstellung

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

Anbieter50 Anbieter

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]

Zugehörige Reaktionen

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