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3729-21-3

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3729-21-3 Structure

3729-21-3 Structure
IdentificationBack Directory
[Name]

4-ISOCYANATOBENZOYL CHLORIDE
[CAS]

3729-21-3
[Synonyms]

P-ISOCYANATOBENZOYL CHLORIDE
4-ISOCYANATOBENZOYL CHLORIDE
4-ISOCYANATOBENZOYL CHLORIDE 98%
4-Isocyanatobenzoyl chloride,98%
Benzoyl chloride, 4-isocyanato- (9CI)
[Molecular Formula]

C8H4ClNO2
[MDL Number]

MFCD00075605
[MOL File]

3729-21-3.mol
[Molecular Weight]

181.58
Chemical PropertiesBack Directory
[Appearance]

LIGHT YELLOW CRYSTALLINE MASS
[Melting point ]

36-38 °C(lit.)
[Boiling point ]

54-55 °C0.07 mm Hg(lit.)
[density ]

1.317 g/mL at 25 °C(lit.)
[refractive index ]

1.5800 (estimate)
[Fp ]

>230 °F
[form ]

Crystalline Mass
[color ]

Light yellow
[InChI]

InChI=1S/C8H4ClNO2/c9-8(12)6-1-3-7(4-2-6)10-5-11/h1-4H
[InChIKey]

JZXYEMZTQVSTJC-UHFFFAOYSA-N
[SMILES]

C(Cl)(=O)C1=CC=C(N=C=O)C=C1
Hazard InformationBack Directory
[Chemical Properties]

LIGHT YELLOW CRYSTALLINE MASS
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

20/21/22-34-36/37-42/43
[Safety Statements ]

26-27-28-36/37/39-45
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29291000
Spectrum DetailBack Directory
[Spectrum Detail]

4-ISOCYANATOBENZOYL CHLORIDE(3729-21-3)1HNMR
4-ISOCYANATOBENZOYL CHLORIDE(3729-21-3)IR
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