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| CAS No.: | 13301-61-6 |
|---|---|
| Name: | Disperse Orange 76 |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H15Cl2N5O2 |
| Molecular Weight: | 392.244 |
| Synonyms: | Propanenitrile,3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]- (9CI);Propionitrile, 3-[p-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethylanilino]-(6CI,8CI);C.I. Disperse Orange 37;C.I. Disperse Orange 59;C.I. DisperseOrange 76;Disperse Orange 37;Disperse Orange 59;Disperse Orange 76;DispersePolyester Yellow Brown;Disperse Yellow Brown 2RCW;Eastman Polyester DarkOrange RL;Eastone Dark Orange R-GLF;Intrasil Dark Orange 3GH;KayalonPolyester Yellow Brown 3RL;Serilene Yellow Brown 2RL;Serilene Yellow Brown2RL150; |
| EINECS: | 236-325-1 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 144-146 °C |
| Boiling Point: | 603.1 °C at 760 mmHg |
| Flash Point: | 318.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 97.57000 |
| LogP: | 6.58018 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 99-30-9
4-nitro-2,6-dichloroaniline
- 148-87-8
N-ethyl-N-(2-cyanoethyl)aniline
- 13301-61-6
2',6'-dichloro-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium acetate; acetic acid; sodium nitrite 1.) 10 deg C, 2.) 5 deg C, overnight; Yield given. Multistep reaction; | |
| Stage #1: 4-nitro-2,6-dichloroaniline With naphthalene-1,5-disulfonate In ethyl acetate at 50℃; for 0.166667h; Stage #2: With tert.-butylnitrite In ethyl acetate at 25℃; for 0.333333h; Stage #3: N-ethyl-N-(2-cyanoethyl)aniline With hydrogenchloride In water at 0 - 5℃; for 0.166667h; |
- Total:21 Page 1 of 1 1
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Specification
The Disperse Orange 76 with the CAS number 13301-61-6 is also called propanenitrile, 3-[[4-[(E)-2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-. The systematic name is 3-[{4-[(E)-(2,6-Dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile. Its molecular formula is C17H15Cl2N5O2. This chemical belongs to the following product categories: (1)Dyes and Pigments; (2)Organics.
The properties of the Disperse Orange 76 are: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 19971.2; (6)ACD/BCF (pH 7.4): 19972.64; (7)ACD/KOC (pH 5.5): 41668.35; (8)ACD/KOC (pH 7.4): 41671.37; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 97.57 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 102.45 cm3; (15)Molar Volume: 289.2 cm3; (16)Polarizability: 40.61×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Enthalpy of Vaporization: 89.72 kJ/mol; (19)Vapour Pressure: 1.68×10-14 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. Therefore, you should take the following instructions. You should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(cc(Cl)c2/N=N/c1ccc(N(CC)CCC#N)cc1)[N+]([O-])=O
(2)InChI: InChI=1/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3/b22-21+
(3)InChIKey: KHZRTXVUEZJYNE-QURGRASLBI