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3-Chlorotoluene

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Name

3-Chlorotoluene

EINECS 203-580-5
CAS No. 108-41-8 Density 1.076 g/cm3
PSA 0.00000 LogP 2.64840
Solubility slightly soluble in Water Melting Point -48 °C
Formula C7H7Cl Boiling Point 159.75 °C at 760 mmHg
Molecular Weight 126.586 Flash Point 50.556 °C
Transport Information UN 2238 3/PG 3 Appearance colorless transparent liquid
Safety 24/25-61 Risk Codes 20-51/53
Molecular Structure Molecular Structure of 108-41-8 (3-Chlorotoluene) Hazard Symbols HarmfulXn,DangerousN
Synonyms

Toluene,m-chloro- (8CI);1-Methyl-3-chlorobenzene;3-Chloro-1-methylbenzene;3-Methylchlorobenzene;m-Chlorotoluene;m-Methylchlorobenzene;m-Tolyl chloride;3-Chlorotoluene;

Article Data 68

3-Chlorotoluene Standards and Recommendations

Assay: 98%

3-Chlorotoluene 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

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