4-Chloro-N-isopropylaniline supplier

Name
4-Chloro-N-isopropylaniline
EINECS 212-224-8
CAS No. 770-40-1
Article Data23
CAS DataBase
Density 1.099 g/cm³
Solubility
Melting Point
Formula C₉H₁₂ClN
Boiling Point 265.2 °C at 760mmHg
Molecular Weight 169.654
Flash Point 114.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-chloro-N-propan-2-yl-aniline;
PSA 12.03000
LogP 3.23330

4-Chloro-N-isopropylaniline Specification

The 4-Chloro-N-isopropylaniline, with the CAS registry number 770-40-1, is also known as (4-Chlorophenyl)isopropylamine. Its EINECS registry number is 212-224-8. This chemical's molecular formula is C₉H₁₂ClN and molecular weight is 169.65. What's more, its IUPAC name is 4-Chloro-N-propan-2-ylaniline and systematic name is called 4-Chloro-N-(propan-2-yl)aniline.

Physical properties about 4-Chloro-N-isopropylaniline are: (1) ACD/LogP: 3.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.08; (4) ACD/LogD (pH 7.4): 3.25; (5) ACD/BCF (pH 5.5): 117.18; (6) ACD/BCF (pH 7.4): 174.16; (7) ACD/KOC (pH 5.5): 939.28; (8) ACD/KOC (pH 7.4): 1396.1; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 3.24 Å²; (13) Index of Refraction: 1.561; (14) Molar Refractivity: 49.98 cm³; (15) Molar Volume: 154.2 cm³; (16) Surface Tension: 36.4 dyne/cm; (17) Density: 1.099 g/cm³; (18) Flash Point: 114.2 °C; (19) Enthalpy of Vaporization: 50.31 kJ/mol; (20) Boiling Point: 265.2 °C at 760 mmHg; (21) Vapour Pressure: 0.0093 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(NC(C)C)cc1
(2) InChI: InChI=1/C9H12ClN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
(3) InChIKey: WQCJXUGBPQKJLI-UHFFFAOYAJ

Product Name

4-Chloro-N-isopropylaniline

4-Chloro-N-isopropylaniline Specification

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