Basic information
- Name:
Benzenesulfonylchloride, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-
- Superlist Name:
- 4-Dimethylaminoazobenzene-4'-sulfonyl chloride
- CAS No.:
56512-49-3
- Molecular Structure:
![Molecular Structure of 56512-49-3 (Benzenesulfonylchloride, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-)](http://www.lookchem.com/300w/2010/0622/56512-49-3.jpg)
- Formula:
- C14H14ClN3O2S
- Molecular Weight:
- 323.8
- Synonyms:
- Benzenesulfonylchloride, 4-[[4-(dimethylamino)phenyl]azo]- (9CI);4-Dimethylaminoazobenzene-4'-sulfonylchloride;4-[[4-(Dimethylamino)phenyl]azo]benzenesulfonyl chloride;4'-(Dimethylamino)azobenzene-4-sulfonic acid chloride;DABS-Cl;Dabsyl chloride;
- EINECS:
- 260-235-1
- Density:
- 1.29 g/cm3
- Melting Point:
- 185 °C (dec.)(lit.)
- Boiling Point:
- 483.6 °C at 760 mmHg
- Flash Point:
- 246.3 °C
- Solubility:
- DMF: soluble
- Appearance:
- Red crystalline powder
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3261 8
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Specification
The 4-Dimethylaminoazobenzene-4'-sulfonyl chloride with the cas number 56512-49-3 is also called Benzenesulfonylchloride, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-. The IUPAC name is 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonyl chloride. Its EINECS registry number is 260-235-1. The molecular formula is C14H14ClN3O2S. This chemical is sensitive to moisture. It should be stored at −20°C.
The properties of the chemical are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2049.3; (6)ACD/BCF (pH 7.4): 2049.56; (7)ACD/KOC (pH 5.5): 8166.36; (8)ACD/KOC (pH 7.4): 8167.39; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.48 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 86.01 cm3; (15)Molar Volume: 249 cm3; (16)Polarizability: 34.09×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Enthalpy of Vaporization: 74.87 kJ/mol ; (19)Vapour Pressure: 1.66×10-9 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible). Finally, you should take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(/N=N/c1ccc(N(C)C)cc1)cc2
(2)InChI: InChI=1/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3/b17-16+
(3)InChIKey: VTVWTPGLLAELLI-WUKNDPDIBF
