CAS No.139937-37-4,4-BROMO-2-METHYLBENZENE-1-SULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139937-37-4
Name:	4-BROMO-2-METHYLBENZENE-1-SULFONYL CHLORIDE
Article Data:	15

Formula:	C₇H₆ Br Cl O₂ S
Molecular Weight:	269.546
Synonyms:	2-Methyl-4-bromobenzenesulfonylchloride;4-Bromo-2-methylbenzene-1-sulfonyl chloride;4-Bromo-2-methylbenzenesulfonyl chloride;
Density:	1.7g/cm³
Melting Point:	65-67
Boiling Point:	164°C 15mm
Flash Point:	139.4°C
Hazard Symbols:	XiXn
Risk Codes:	R14;R29;R34
Safety:	26-36/37/39-45-30-22-8
PSA:	42.52000
LogP:	3.76580

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Specification

The 4-Bromo-2-methylbenzenesulfonyl chloride, with the cas registry number 139937-37-4, has other names as Benzenesulfonyl chloride, 4-bromo-2-methyl-. And its product categories are including Phenyls & Phenyl-Het; Sulphonyl Chlorides; Phenyls & Phenyl-Het; Sulphonyl Chlorides.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 260.36; (6)ACD/BCF (pH 7.4): 260.36; (7)ACD/KOC (pH 5.5): 1865; (8)ACD/KOC (pH 7.4): 1865; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 ; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 52.74 cm³; (15)Molar Volume: 158.5 cm³; (16)Polarizability: 20.9×10^-24 cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 139.4 °C; (20)Enthalpy of Vaporization: 52.57 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.00135 mmHg at 25°C; (23)Exact Mass: 267.89604; (24)MonoIsotopic Mass: 267.89604; (25)Topological Polar Surface Area: 42.5; (26)Heavy Atom Count: 12; (27)Formal Charge: 0; (28)Complexity: 247.

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful that may cause damage to health. If contact with water, it liberates toxic gas. In addition, it is corrosive which may destroy living tissue on contact. And it could reacts violently with water and may causes burns. Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Then remember to keep container dry while storing and never add water to this product. In addition, do not breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl
(2)InChI: InChI=1S/C7H6BrClO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3
(3)InChIKey: KNBSFUSBZNMAKU-UHFFFAOYSA-N