(3-Isocyanatopropyl)trimethoxysilane

C₇H₁₅NO₄SiCAS 15396-00-6205.28 g/mol

Open in Covalent MOL file

Isocyanate Silyl ether

Properties

Molecular formula: C₇H₁₅NO₄Si
Molar mass: 205.28 g/mol
Exact mass: 205.0770 Da
Density: 1.07 g/mL
Boiling point: 95–98 °C (at 10 Torr)
logP: 0.59Crippen estimate
Polar surface area: 57.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin20% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction72.8% of notifiers
H330 Fatal if inhaled100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 235 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501

Identifiers

CAS number

15396-00-6

SMILES

CO[Si](CCCN=C=O)(OC)OC

InChIKey

FMGBDYLOANULLW-UHFFFAOYSA-N

InChI

InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

26 names · show all

KH 901
Vestanat EP-IPMS
3-Isocyanate propyltrimethoxysilane
3-Isocyantopropyltrimethoxysilane
KBE 900
KBM 9007A
KBM 9007N
SCA-Y 25M
IC 301
Silane, (3-isocyanatopropyl)trimethoxy-
Isocyanic acid, 3-(trimethoxysilyl)propyl ester
3-(Trimethoxysilyl)propyl isocyanate
(γ-Isocyanatopropyl)trimethoxysilane
KBK 9007
Silquest Y 5187
Y 5187
1-Isocyanato-3-trimethoxysilylpropane
Silquest A-link 35
3-Isocyanopropyltrimethoxysilane
Geniosil GF 40
A-Link 35
γ-Isocyanopropyltrimethoxysilane
SII 6456.0
Unisilan 18
Trimethoxy(3-isocyanatopropyl)silane
GF 40

Work with (3-Isocyanatopropyl)trimethoxysilane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3-Isocyanatopropyl)dimethoxymethylsilane26115-72-068 % similar (3-Isocyanatopropyl)triethoxysilane24801-88-563 % similar Tetramethylene diisocyanate4538-37-850 % similar Hexamethylene diisocyanate822-06-048 % similar 1,6-Bis(trimethoxysilyl)hexane87135-01-148 % similar Butyl isocyanate111-36-447 % similar Pentyl isocyanate3954-13-045 % similar N,N,N′,N′-Tetramethyl-N′′-[3-(trimethoxysilyl)propyl]guanidine69709-01-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook