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| CAS No.: | 1609-93-4 |
|---|---|
| Name: | CIS-3-CHLOROACRYLIC ACID |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C3H3ClO2 |
| Molecular Weight: | 106.509 |
| Synonyms: | 2-Propenoicacid, 3-chloro-, (Z)-;Acrylic acid, 3-chloro-, (Z)- (8CI);Acrylic acid,3-chloro-, cis- (5CI);(Z)-3-Chloroacrylic acid;(Z)-b-Chloroacrylic acid;cis-3-Chloroacrylic acid;cis-b-Chloroacrylic acid;(2Z)-3-Chloroprop-2-enoic acid; |
| EINECS: | 216-545-4 |
| Density: | 1.371 g/cm3 |
| Melting Point: | 61-62 °C(lit.) |
| Boiling Point: | 192.3 °C at 760 mmHg |
| Flash Point: | 70.1 °C |
| Appearance: | White crystals |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 0.82350 |
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Specification
The 2,3-Diphenylindole, with the CAS registry number 1609-93-4, is also known as cis-3-Chloroacrylic acid. Its EINECS number is 216-545-4. It belongs to the product categories of C1 to C5; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C3H3ClO2 and molecular weight is 106.51. What's more, its systematic name is (2Z)-3-Chloroprop-2-enoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in cold temperatures. What's more, it should be protected from oxides, bases and heat.
Physical properties of 2,3-Diphenylindole are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 22.41 cm3; (15)Molar Volume: 77.6 cm3; (16)Polarizability: 8.88×10-24 cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 70.1 °C; (20)Enthalpy of Vaporization: 47.23 kJ/mol; (21)Boiling Point: 192.3 °C at 760 mmHg; (22)Vapour Pressure: 0.216 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns and it is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing and after contact with skin, you need wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible) When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=CCl)C(=O)O
(2)InChI: InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-
(3)InChIKey: MHMUCYJKZUZMNJ-UPHRSURJSA-N