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Chlorodimethylphenylsilane

HCID 13029
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
768-33-2
Standard SMILES
C[Si](C)(Cl)c1ccccc1
InChIKey
KWYZNESIGBQHJK-UHFFFAOYSA-N
Molecular formula
C8H11ClSi
Average molar mass
170.71 g/mol
Monoisotopic mass
170.0318546

Names & identifiers

Preferred name
Chlorodimethylphenylsilane
IUPAC
chloro-dimethyl-phenylsilane
English name
Chlorodimethylphenylsilane
Molecular formula
C8H11ClSi
Molecular weight
170.71

Names & synonyms

CHLORODIMETHYLPHENYLSILANE768-33-2PhenyldimethylchlorosilaneDimethylphenylchlorosilaneSilane, chlorodimethylphenyl-D9XK5MV9A8Benzene, (chlorodimethylsilyl)-NSC-95425DTXSID5061110CDMPSRefChem:575832DTXCID4047917
Show more names
DIMETHYLPHENYLSILYLCHLORIDEDK394DK900DK437CP0160DMPSCIDKFELEX0239Phenylchlorodimethylsilane
212-193-0chlorodimethyl(phenyl)silaneChloro(dimethyl)phenylsilanechloro-dimethyl-phenylsilanechloro-dimethyl-phenyl-silaneDMPSClMFCD00000499Phenyl dimethylchlorosilane

Database identifiers

CAS
768-33-2
PubChem CID
13029
DTXSID
DTXSID5061110
UNII
D9XK5MV9A8
EC Number
212-193-0
Nikkaji
J44.131G

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
106

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
0 °C · <0°C
Boiling point
198 °C · 198 °C
Density
1.03 · 1.03
refractive index
1.51 · 1.51
Flash point
82 °C · 82 °C
storage temp.
Inert atmosphere,Room Temperature
solubility
Miscible with tetrahydrofuran, ether and hexane.
form
clear liquid
color
Colorless to Light yellow
Specific Gravity
1.017 · 1.017
Water Solubility
MAY DECOMPOSE
Sensitive
Moisture Sensitive
Hydrolytic Sensitivity
8 · 8: reacts rapidly with moisture, water, protic solvents

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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Silane, chlorodimethylphenyl-

REACH registered substance: Chlorodimethylphenylsilane (EC: 212-193-0)

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F
10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
ridadr
UN 2987 8/PG 2
hs_code
2931900090
risk_code
34-37
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
8
Storage Class
8A - Combustible corrosive hazardous materials

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, (chlorodimethylsilyl)-: ACTIVE

Applications

UsesChlorodimethylphenylsilane is used in the synthesis of enantioenriched allenylsilanes through an ortho-ester Claisen rearrangement of chiral and silylpropargylic alcohols.

Upstream & downstream products

Upstream raw materials

Copper(I) CyanideHexaneNitrogenTolueneBis(benzonitrile)palladium chlorideBromobenzeneTetrahydrofuranDiethyl etherIodineChloro(diethylamino)dimethylsilane 97TriphenylphosphineDichlorodimethylsilaneBenzoyl chloridePetroleum etherMagnesiumLithium

Related reactions

26 records
New reaction record
HRID 55560 reaction equation
HRID 55560As reactantuspto-grants-1997_04
HRID 143435 reaction equation
HRID 143435As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 149111 reaction equation
HRID 149111As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 236850 reaction equation
HRID 236850As productuspto-grants-1979_06
HRID 368584 reaction equation
HRID 368584As reactantuspto-grants-2000_10
HRID 378000 reaction equation
HRID 378000As reactantuspto-grants-2000_02
HRID 400623 reaction equation
HRID 400623As reactantuspto-grants-2014_06
HRID 610891 reaction equation
HRID 610891As reactantuspto-grants-1999_12
Page 1 of 4

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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BRN
606292 · 606292
InChI
1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
KWYZNESIGBQHJK-UHFFFAOYSA-N
SMILES
C[Si](C)(Cl)c1ccccc1
CAS DataBase Reference
768 · 768-33-2(CAS DataBase Reference)
FDA UNII
9 XK5MV9A8 · D9XK5MV9A8
NIST Chemistry Reference
Silane, chlorodimethylphenyl-(768-33-2)
EPA Substance Registry System
Silane, chlorodimethylphenyl- (768-33-2)
UNSPSC Code
12352002 · 12352002
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
C
Risk Statements
34 · 34-37
Safety Statements
26 · 26-36/37/39-45
RIDADR
2987 · UN 2987 8/PG 2
WGK Germany
1 · 1
F
10 · 10-21
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
HS Code
2931900090 · 2931900090
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 B · Skin Corr. 1B
REACH Registrations
Active
packing_group
II
Hazard statements
H314
REACH Registrations
Active
Hazard Classifications
Skin Corr. 1B
Precautionary statements
P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Downstream products

(Dimethylphenylsilyl)boronic acid pinac&