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| CAS No.: | 138555-57-4 |
|---|---|
| Name: | 2-CHLOROCINNAMALDEHYDE |
| Article Data: | 19 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H7ClO |
| Molecular Weight: | 166.607 |
| Synonyms: | 2-Propenal,3-(2-chlorophenyl)-, (E)-;(E)-3-(2-Chlorophenyl)-2-propenal;(E)-o-Chlorocinnamaldehyde;trans-2-Chlorocinnamaldehyde; |
| Density: | 1.192 g/cm3 |
| Melting Point: | 49-51 °C(Solv: heptane (142-82-5)) |
| Boiling Point: | 286.8 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| PSA: | 17.07000 |
| LogP: | 2.55210 |
- 138555-58-52-Propenal,3-(2-bromophenyl)-, (2E)-
- 138-55-61-Cyclohexene-1-carboxaldehyde,4-(b-D-glucopyranosyloxy)-2,6,6-trimethyl-,(4R)-
- 138564-16-6Benzenamine,2,4-difluoro-N-methyl-
- 138564-58-63-Thiophenecarbonitrile,2-amino-5-methyl-
- 138564-59-73-Thiophenecarbonitrile,5-methyl-2-[(2-nitrophenyl)amino]-
- 138564-60-04-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride
- 138566-17-3(-)-N-(Diphenylmethylene)glycinyl-(2R)-bornane-10,2-sultam
- 138-56-7Benzamide,N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxy-
- 13856-86-5Benzenemethanol,4-chloro-a-propyl-
- 138571-64-91H-Imidazole,2,2'-[1,3-propanediylbis[oxy(3-methoxy-4,1-phenylene)]]bis- (9CI)
- Total:16 Page 1 of 1 1
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Specification
The IUPAC name of 2-Chlorocinnamaldehyde is (E)-3-(2-chlorophenyl)prop-2-enal. With the CAS registry number , it is also named as 2-Propenal,3-(2-chlorophenyl)-, (2E)-. In addition, its molecular formula is C9H7ClO and its molecular weight is 166.60.
The other characteristics of 2-Chlorocinnamaldehyde can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.91; (6)ACD/BCF (pH 7.4): 46.91; (7)ACD/KOC (pH 5.5): 546.9; (8)ACD/KOC (pH 7.4): 546.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 47.22 cm3; (15)Molar Volume: 139.6 cm3; (16)Polarizability: 18.72×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 52.59 kJ/mol; (21)Boiling Point: 286.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccccc1/C=C/C=O
(2)InChI: InChI=1/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(3)InChIKey: HGBCDXOKFIDHNS-HWKANZROBW
(4)Std. InChI: InChI=1S/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(5)Std. InChIKey: HGBCDXOKFIDHNS-HWKANZROSA-N