4-Isocyanatobenzoyl chloride, also known as 4-isothiocyanatobenzoyl chloride or 4-isothiocyanatobenzoyl chloride, is an organic compound with the chemical formula C8H4ClNO2S. It is a colorless to pale yellow crystalline solid that is sensitive to light and moisture. 4-ISOCYANATOBENZOYL CHLORIDE is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also employed as a reagent in various chemical reactions, such as the preparation of 4-aminobenzoic acid derivatives and other benzoic acid derivatives. Due to its reactivity, 4-isocyanobenzoyl chloride requires careful handling and storage to prevent decomposition or unwanted side reactions.
3729-21-3
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Basic information
- Product Name: 4-ISOCYANATOBENZOYL CHLORIDE
- Synonyms: P-ISOCYANATOBENZOYL CHLORIDE;4-ISOCYANATOBENZOYL CHLORIDE;Benzoyl chloride, 4-isocyanato- (9CI);4-ISOCYANATOBENZOYL CHLORIDE 98%;4-Isocyanatobenzoyl chloride,98%
- CAS NO:3729-21-3
- Molecular Formula: C8H4ClNO2
- Molecular Weight: 181.58
- EINECS: N/A
- Product Categories: ACIDHALIDE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
- Mol File: 3729-21-3.mol
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Chemical Properties
- Melting Point: 36-38 °C(lit.)
- Boiling Point: 54-55 °C0.07 mm Hg(lit.)
- Flash Point: >230 °F
- Appearance: Light yellow/Crystalline Mass
- Density: 1.317 g/mL at 25 °C(lit.)
- Vapor Pressure: 0.00642mmHg at 25°C
- Refractive Index: 1.5800 (estimate)
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 4-ISOCYANATOBENZOYL CHLORIDE(CAS DataBase Reference)
- NIST Chemistry Reference: 4-ISOCYANATOBENZOYL CHLORIDE(3729-21-3)
- EPA Substance Registry System: 4-ISOCYANATOBENZOYL CHLORIDE(3729-21-3)
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Safety Data
- Hazard Codes: C
- 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
- RTECS:
- HazardClass: 8
- PackingGroup: III
- Hazardous Substances Data: 3729-21-3(Hazardous Substances Data)
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3729-21-3 Usage
Check Digit Verification of cas no
The CAS Registry Mumber 3729-21-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,7,2 and 9 respectively; the second part has 2 digits, 2 and 1 respectively.Calculate Digit Verification of CAS Registry Number 3729-21:
(6*3)+(5*7)+(4*2)+(3*9)+(2*2)+(1*1)=93
93 % 10 = 3
So 3729-21-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H4ClNO2/c9-8(12)6-1-3-7(4-2-6)10-5-11/h1-4H
3729-21-3 Well-known Company Product Price
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Aldrich
(375039) 4-Isocyanatobenzoylchloride 98%
3729-21-3
375039-5G
1,219.14CNY
- Detail
3729-21-3Upstream product
3729-21-3Downstream Products
- 5180-75-6 4-[(ethoxycarbonyl)amino]benzoic acid
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5100-21-0 4-
- 5100-20-9 4-<3-(4-Ethoxy-phenyl)-ureido>-benzoesaeure-p-phenetidid
- 92429-58-8 4,4'-Diisocyanatophenyl benzoate
- 131457-72-2 4,4'-Diisocyanato-trans-cyclohexyl benzoate
- 121565-69-3 4-Isocyanato-benzoic acid 4-isocyanato-2-methyl-phenyl ester
- 121565-68-2 4-Isocyanato-benzoic acid 4-isocyanato-3-methyl-phenyl ester
- 1383530-06-0 4-(3,3-diethyl-2,4-dioxoazetidin-1-yl)benzoyl chloride
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5100-33-4 1.3-Bis-<4-(methyl-phenyl-carbamoyl)-phenyl>-harnstoff, 4,4'-
-carbanilid - 5100-28-7 N-phenyl-N-methyl-p-(ethoxycarbonylamino)benzamide
- 5100-27-6 N-Methyl-4-isocyanato-benzanilid
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4-ISOCYANATOBENZOYL CHLORIDE
