CAS No.108-41-8,3-Chlorotoluene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-41-8
Name:	3-Chlorotoluene
Article Data:	68

Formula:	C₇H₇Cl
Molecular Weight:	126.586
Synonyms:	Toluene,m-chloro- (8CI);1-Methyl-3-chlorobenzene;3-Chloro-1-methylbenzene;3-Methylchlorobenzene;m-Chlorotoluene;m-Methylchlorobenzene;m-Tolyl chloride;3-Chlorotoluene;
EINECS:	203-580-5
Density:	1.076 g/cm³
Melting Point:	-48 °C
Boiling Point:	159.75 °C at 760 mmHg
Flash Point:	50.556 °C
Solubility:	slightly soluble in Water
Appearance:	colorless transparent liquid
Hazard Symbols:	Xn,N
Risk Codes:	20-51/53
Safety:	24/25-61
Transport Information:	UN 2238 3/PG 3
PSA:	0.00000
LogP:	2.64840

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Standards and Recommendations

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Specification

The 3-Chlorotoluene, with the CAS registry number 108-41-8, is also known as 3-Methylchlorobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Chlorine Compounds; Aryl; C7; Halogenated Hydrocarbons; Alpha Sort; C; CAlphabetic; CH; Pesticides & Metabolites. Its EINECS registry number is 203-580-5. This chemical's molecular formula is C₇H₇Cl and molecular weight is 126.58. What's more, its IUPAC name and systematic name are the same which is called 1-Chloro-3-methylbenzene.

Physical properties about 3-Chlorotoluene: (1)ACD/LogP: 3.273; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 181.05; (6)ACD/BCF (pH 7.4): 181.05; (7)ACD/KOC (pH 5.5): 1437.96; (8)ACD/KOC (pH 7.4): 1437.96; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 35.973 cm³; (15)Molar Volume: 117.659 cm³; (16)Polarizability: 14.261×10^-24cm³; (17)Surface Tension: 32.44 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 50.556 °C; (20)Enthalpy of Vaporization: 38.006 kJ/mol; (21)Boiling Point: 159.75 °C at 760 mmHg; (22)Vapour Pressure: 3.20 mmHg at 25°C; (23)Melting point: -48 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, it may cause damage to health by inhalation. Therefore, you should avoid releasing to the environment and avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(Cl)ccc1
(2) InChI: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
(3) InChIKey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N