3-Cyanopropyldimethylchlorosilane

HCID 87478

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Basic information

CAS: 18156-15-5
Standard SMILES: C[Si](C)(Cl)CCCC#N
InChIKey: GPIARXZSVWTOMD-UHFFFAOYSA-N
Molecular formula: C6H12ClNSi
Average molar mass: 161.7 g/mol
Monoisotopic mass: 161.0427536

Overview

coupling reagent for binding antibodies to silica supports; structure in first source

Names & identifiers

Preferred name: 3-Cyanopropyldimethylchlorosilane
IUPAC: 4-[chloro(dimethyl)silyl]butanenitrile
English name: (3-Cyanopropyl)dimethylchlorosilane
Molecular formula: C6H12ClNSi
Molecular weight: 161.7

Names & synonyms

18156-15-53-CyanopropyldimethylchlorosilaneButanenitrile, 4-(chlorodimethylsilyl)-3-cyanopropyl dimethyl chlorosilaneDTXSID5066324RefChem:500653DTXCID3035763(3-Cyanopropyl)dimethylchlorosilane4-(chlorodimethylsilyl)butanenitrile4-[Chloro(dimethyl)silyl]butanenitrileChloro(3-cyanopropyl)dimethylsilane4-(Chlorodimethylsilyl)butyronitrile

Show more names

DK152DKSI119DKFELEX0279(3-Cyanopropyl)dimethylsilylchloride4-(Dimethylchlorosilyl)butanenitrile(3-CYANOPROPYL)LDIMETHYLCHLOROSILANE

MFCD00001969ChlorocyanopropyldimethylsilaneC6H12ClNSi(Cyanopropyl)dimethylchlorosilaneEINECS 242-039-8KML9HY5KPTCyanopropyldimethylchlorosilaneSCHEMBL345296

Database identifiers

CAS: 18156-15-5
PubChem CID

Properties

Computed structural properties

Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 0 °C · <0°C
Boiling point: 230 · 230-235 °C(lit.)
Density: 0.99 g/mL · 0.990 g/mL at 20 °C(lit.)
vapor pressure: 8.7 · 8.7-21.1hPa at 20-50℃
refractive index: 20 · n20/D 1.446
Flash point: 85 °C · 85°C
storage temp.: Refrigerator
form: Liquid
color: Clear colorless to straw to brown
Specific Gravity: 0.986 · 0.986
Hydrolytic Sensitivity: 8 · 8: reacts rapidly with moisture, water, protic solvents
Sensitive: Moisture Sensitive
BRN: 2235062 · 2235062
InChI: 1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3
InChIKey: GPIARXZSVWTOMD-UHFFFAOYSA-N
SMILES: C[Si](C)(Cl)CCCC#N
LogP

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H226 (78.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 4-(chlorodimethylsilyl)butyronitrile (EC: 242-039-8)

Hazard Classes and CategoriesFlam. Liq. 3 (78.4%)

Safety data

F: 3-10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2986 8/PG 2
hs_code: 29319000
risk_code: 10-34-37
Signal word: Danger
Symbol(GHS): GHS06,GHS02,GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanenitrile, 4-(chlorodimethylsilyl)-: ACTIVE

Suppliers96 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

湖北科孚乐材料科技有限公司027-84459282 13720265353 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Related reactions

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Compound notes

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