m-Xylylene diisocyanate
Properties
- Molecular formula
- C10H8N2O2
- Molar mass
- 188.19 g/mol
- Exact mass
- 188.0586 Da
- Boiling point
- 159–162 °C (at 12 Torr)
- logP
- 1.36Crippen estimate
- Polar surface area
- 58.9 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor35% of notifiers
- H314 Causes severe skin burns and eye damage34.6% of notifiers
- H315 Causes skin irritation65.4% of notifiers
- H317 May cause an allergic skin reaction70.1% of notifiers
- H318 Causes serious eye damage56.1% of notifiers
- H319 Causes serious eye irritation14.5% of notifiers
- H330 Fatal if inhaled57.5% of notifiers
- H331 Toxic if inhaled13.1% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled99.5% of notifiers
- H335 May cause respiratory irritation14% of notifiers
- H370 Causes damage to organs56.5% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure56.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects50% of notifiers
Aggregated from 214 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3634-83-1SMILES
O=C=NCc1cccc(CN=C=O)c1InChIKey
RTTZISZSHSCFRH-UHFFFAOYSA-NInChI
InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzene, 1,3-bis(isocyanatomethyl)-
- Isocyanic acid, m-phenylenedimethylene ester
- 1,3-Bis(isocyanatomethyl)benzene
- m-Phenylenedimethylene isocyanate
- 1,3-Di(isocyanatomethyl)benzene
- 1,3-Xylylene diisocyanate
- 1,3-Xylene diisocyanate
- ω,ω′-Diisocyanato-1,3-dimethylbenzene
- m-XDI
Work with m-Xylylene diisocyanate
Similar compounds
3-Methylbenzyl isocyanate61924-25-272 % similar
Benzyl isocyanate3173-56-672 % similar
3,4-Dichlorobenzyl isocyanate19752-09-163 % similar
Xylylene diisocyanate25854-16-456 % similar
1-Fluoro-4-(isocyanatomethyl)benzene132740-43-353 % similar
1-(Isocyanatomethyl)-4-methylbenzene56651-57-153 % similar
Phenethyl isocyanate1943-82-452 % similar
4-Methoxybenzyl isocyanate56651-60-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6
4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6
3-(1H-Imidazol-1-yl)benzoic acid108035-47-8
5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2
1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5
3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0
2-(1H-Imidazol-1-yl)benzoic acid159589-67-0
4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0