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Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-

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Name

Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-

EINECS N/A
CAS No. 16761-18-5 Density 1.566g/cm3
PSA 71.62000 LogP 3.37970
Solubility N/A Melting Point 143 °C
Formula C8H7Cl2NO3S Boiling Point 447.3 °C at 760 mmHg
Molecular Weight 268.12 Flash Point 224.3 °C
Transport Information N/A Appearance N/A
Safety 26-27-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 16761-18-5 (4-ACETAMIDO-3-CHLOROBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

Sulfanilylchloride, N-acetyl-3-chloro- (8CI);3-Chloro-4-acetamidobenzenesulfonylchloride;4-(Acetylamino)-3-chlorobenzene-1-sulfonyl chloride;4-Acetamido-3-chlorobenzenesulfonyl chloride;4-Acetylamino-3-chlorobenzenesulfonyl chloride;NSC 136584;

Article Data 6

Benzenesulfonylchloride, 4-(acetylamino)-3-chloro- Specification

The Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-, with CAS registry number 16761-18-5, has the systematic name of 4-(acetylamino)-3-chlorobenzenesulfonyl chloride. Besides this, it is also called Sulfanilylchloride, N-acetyl-3-chloro- (8CI). And the chemical formula of this chemical is C8H7Cl2NO3S.

Physical properties of Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.05; (6)ACD/BCF (pH 7.4): 24.05; (7)ACD/KOC (pH 5.5): 339.04; (8)ACD/KOC (pH 7.4): 339.04; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 171.1 cm3; (16)Polarizability: 23.09×10-24cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.566 g/cm3; (19)Flash Point: 224.3 °C; (20)Enthalpy of Vaporization: 70.57 kJ/mol; (21)Boiling Point: 447.3 °C at 760 mmHg; (22)Vapour Pressure: 3.39E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenesulfonylchloride, 4-(acetylamino)-3-chloro- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1NC(=O)C)S(Cl)(=O)=O
(2)InChI: InChI=1/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
(3)InChIKey: ALOQYFFSHSEVJH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: ALOQYFFSHSEVJH-UHFFFAOYSA-N

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