4-Chloro-3-methyl-6-nitrophenol supplier

Name
4-CHLORO-6-NITRO-M-CRESOL
EINECS 230-461-5
CAS No. 7147-89-9
Article Data14
CAS DataBase
Density 1.4219 (rough estimate)
Solubility
Melting Point 132-134 °C
Formula C₇H₆ClNO₃
Boiling Point 276.7 °C at 760 mmHg
Molecular Weight 187.583
Flash Point 121.1 °C
Transport Information
Appearance yellow to greenish powder
Safety 24//25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms m-Cresol,4-chloro-6-nitro- (7CI,8CI);4-Chloro-3-methyl-6-nitrophenol;4-Chloro-5-methyl-2-nitrophenol;4-Chloro-6-nitro-3-cresol;4-Chloro-6-nitro-3-methylphenol;4-Chloro-6-nitro-m-cresol;NSC 28451;
PSA 66.05000
LogP 2.78540

4-Chloro-3-methyl-6-nitrophenol Specification

The 4-Chloro-3-methyl-6-nitrophenol, with the CAS registry number 7147-89-9 and EINECS registry number 230-461-5, has the systematic name of 4-chloro-5-methyl-2-nitrophenol. It is a kind of yellow to greenish powder. And the molecular formula of the chemical is C₇H₆ClNO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 146.82; (6)ACD/BCF (pH 7.4): 18.42; (7)ACD/KOC (pH 5.5): 1205.14; (8)ACD/KOC (pH 7.4): 151.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 44.39 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 17.6×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.466 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 53.59 kJ/mol; (21)Boiling Point: 276.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00281 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better not to contact with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(c(O)cc1C)[N+]([O-])=O
(2)InChI: InChI=1/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
(3)InChIKey: JBMGJOKJUYGIJH-UHFFFAOYAV

Product Name

4-CHLORO-6-NITRO-M-CRESOL

4-Chloro-3-methyl-6-nitrophenol Specification

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