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Phenylsilane

HCID 12752
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
694-53-1
Standard SMILES
[SiH3]c1ccccc1
InChIKey
PARWUHTVGZSQPD-UHFFFAOYSA-N
Molecular formula
C6H8Si
Average molar mass
108.21 g/mol
Monoisotopic mass
108.03952679

Names & identifiers

Preferred name
Phenylsilane
IUPAC
phenylsilane
English name
Phenylsilane
Molecular formula
C6H8Si
Molecular weight
108.21

Names & synonyms

RefChem:861824DTXCID10818451211-772-5694-53-1Benzene, silyl-CHEBI:172874DTXSID70870757NSC-179699P2EX7Q1UYSPhenylsilaneSilylbenzeneSIP-6750.0
Show more names
Phenylsilane, 98% 25MLFenylsilanphenyl-silanCHLORODIMETHYLSilane, phenyl-Phenylsilane>
Z-6047phenysilaneC6H8Siphenyl silaneSilyl-benzene; Monophenylsilane; NSC 179699; SIP 6750.0; Silylbenzene; Z 6047PhSiH3SCHEMBL7942SCHEMBL465286

Database identifiers

CAS
694-53-1
PubChem CID
12752
DTXSID
DTXSID70870757
EC Number
211-772-5

Properties

Computed structural propertiesFilling in

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
46.1

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
-64 to · -64 to -68°C
Boiling point
120 °C · 120 °C (lit.)
Density
0.877 g/mL · 0.877 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.510(lit.)
Flash point
45 °F · 45 °F
storage temp.
Flammables area
form
clear liquid
color
Colorless to Almost colorless
Specific Gravity
0.868 · 0.868
Water Solubility
Contact with water releases a flammable alcohol. Soluble in water (Contact with water releases flammable gases), and most common organic solvents.
Sensitive
Air & Moisture Sensitive
Hydrolytic Sensitivity

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

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P231+P232, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 14-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30929

Silane, phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F
10-21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
VV4825000
ridadr
UN 3399 4.3/PG 2
hs_code
29319090
risk_code
11-14/15-20/22-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, silyl-: ACTIVE
Applications · 1 item

UsesPhenylsilane (PhSiH3) may be used as a reducing agent for the partial reduction of phosphine oxide groups in poly(4,4′-diphenylphenylphosphine oxide) (PAPO) to phosphine. It can also undergo photopolymerization with methyl methacrylate(MMA) to form poly(MMA) containing SiH groups. PhSiH3 may be used as a silicon source to synthesize crystalline Si nanowires via Au-nanocrystal-seeded supercritical fluid-liquid-solid (SFLS) synthesis.

Upstream & downstream products

Upstream raw materials

Potassium carbonateSodiumBromobenzeneTetrahydrofuranDiethyl etherLithium Aluminum HydrideTetrachlorosilanePhenyltrichlorosilaneMagnesiumSulfuric acidChlorophenylsilane

Downstream products

Diphenylsilane1,1,3-trichloropropane

Related reactions

265 records
New reaction record
HRID 29069 reaction equation
HRID 29069As reactantuspto-grants-2008_09
HRID 52764 reaction equation
HRID 52764As reactantuspto-grants-1997_04
HRID 59788 reaction equation
HRID 59788As reactantuspto-grants-2016_09
HRID 73152 reaction equation
HRID 73152As reactantuspto-grants-2014_09
HRID 73157 reaction equation
HRID 73157As reactantuspto-grants-2014_09
HRID 73178 reaction equation
HRID 73178As reactantuspto-grants-2014_09
HRID 73205 reaction equation
HRID 73205As reactantuspto-grants-2014_09
HRID 73208 reaction equation
HRID 73208As reactantuspto-grants-2014_09
Page 1 of 34

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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7 · 7: reacts slowly with moisture/water
BRN
2935169 · 2935169
InChI
1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3
InChIKey
PARWUHTVGZSQPD-UHFFFAOYSA-N
SMILES
[SiH3]c1ccccc1
CAS DataBase Reference
694 · 694-53-1(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
2 EX7Q1UYS · P2EX7Q1UYS
EPA Substance Registry System
Silane, phenyl- (694-53-1)
UNSPSC Code
12352103 · 12352103
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Danger
Hazard statements
225 · H225-H302+H332-H315-H319-H335
Precautionary statements
210 · P210-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xn
Risk Statements
11 · 11-14/15-20/22-36/37/38
Safety Statements
16 · 16-43
RIDADR
3399 · UN 3399 4.3/PG 2
WGK Germany
1 · 1
RTECS
4825000 · VV4825000
F
10 · 10-21
TSCA
TSCA listed
HazardClass
4.3 · 4.3
PackingGroup
II
HS Code
29319090 · 29319090
Storage Class
4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications
4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
REACH Registrations
Active
hazard_code
F,Xn
safety_code
16-43
hazard_class
4.3
Storage Class
4.3 - Hazardous materials which set free flammable gases upon contact with water
packing_group
II
target organs
Respiratory system
Hazard statements
H225-H302+H332-H315-H319-H335
REACH Registrations
Active
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P210-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338
Phenyldichlorosilane
Triphenylethoxysilane

Additional notes

DefinitionChEBI: Phenylsilane is an organosilicon compound that is benzene in which a hydrogen is replaced by a silyl group. It has a role as a reducing agent. It is an organosilicon compound and a member of benzenes.