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| CAS No.: | 97-50-7 |
|---|---|
| Name: | 5-Chloro-2,4-dimethoxyaniline |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10ClNO2 |
| Molecular Weight: | 187.626 |
| Synonyms: | Aniline,5-chloro-2,4-dimethoxy- (7CI,8CI);(3-Chloro-4,6-dimethoxyphenyl)amine;3-Chloro-4,6-dimethoxyaniline;5-Chloro-2,4-dimethoxyaminobenzene;ITR Amine;NSC 50657; |
| EINECS: | 202-586-5 |
| Density: | 1.237 g/cm3 |
| Melting Point: | 89-92 °C |
| Boiling Point: | 305.4 °C at 760 mmHg |
| Flash Point: | 138.5 °C |
| Appearance: | brown crystalline powder |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | 36/37/38-51/53 |
| Safety: | 37/39-26-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 44.48000 |
| LogP: | 2.52060 |
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Specification
The Benzenamine,5-chloro-2,4-dimethoxy-, with CAS registry number 97-50-7, belongs to the following product categories: (1)Alpha sort; (2)C; (3)CAlphabetic; (4)CH; (5)Pesticides & Metabolites. It has the systematic name of 5-chloro-2,4-dimethoxyaniline. This chemical is a kind of brown crystalline powder. The main use of this chemical is for preparation of Naphthol AS-ITR and Pigment Red 5.
Physical properties of Benzenamine,5-chloro-2,4-dimethoxy-: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.11; (6)ACD/BCF (pH 7.4): 11.52; (7)ACD/KOC (pH 5.5): 192.93; (8)ACD/KOC (pH 7.4): 200.19; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 48.74 cm3; (15)Molar Volume: 151.6 cm3; (16)Polarizability: 19.32×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 54.58 kJ/mol; (21)Boiling Point: 305.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000824 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,5-chloro-2,4-dimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. What's more, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1OC)N
(2)InChI: InChI=1/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
(3)InChIKey: OLCMNCWEUMBNIS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
(5)Std. InChIKey: OLCMNCWEUMBNIS-UHFFFAOYSA-N