Basic information
- CAS
1609-93-4- Standard SMILES
O=C(O)/C=C\Cl- InChIKey
MHMUCYJKZUZMNJ-UPHRSURJSA-N- Molecular formula
- C3H3ClO2
- Average molar mass
- 106.51 g/mol
- Monoisotopic mass
- 105.98215702
Overview
Cis-3-chloroacrylic-acid is an olefinic compound. It is functionally related to an acrylic acid.
Names & identifiers
- Preferred name
- cis-3-Chloroacrylic acid
- IUPAC
- (Z)-3-chloroprop-2-enoic acid
- English name
- CIS-3-CHLOROACRYLIC ACID
- Molecular formula
- C3H3ClO2
- Molecular weight
- 106.51
Names & synonyms
cis-3-Chloroacrylic acid1609-93-4(Z)-3-chloroprop-2-enoic acidcis-3-Chloropropenoic acidcis-beta-Chloroacrylic acid2-Propenoic acid, 3-chloro-, (Z)-Acrylic acid, 3-chloro-, (Z)-CCRIS 3547EINECS 216-545-4NSC 202397(2Z)-3-Chloro-2-propenoic acidRefChem:577335
Show more names
3-chloroacrylic3-chloroacrylicacid3-CHLOROPROPENOICACID(Z)-3-Chloropropenoic acid(2Z)-3-Chloropropenoic acid(Z)-3-Chloro-2-propenoic acid
Acrylic acid, 3-chloro-, (Z)-(8CI)2-Propenoic acid, 3-chloro-, (Z)-(9CI)216-545-4(Z)-3-Chloroacrylic acidCis-3-chloroacrylicacid2-propenoic acid, 3-chloro-, (2Z)-MFCD00004368(2Z)-3-chloroacrylic acid
Database identifiers
- CAS
1609-93-4、2345-61-1- PubChem CID
- 643794
- DTXSID
DTXSID601030858- ChEBI
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 76.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 61 · 61-62 °C(lit.)
- Boiling point
- 118.27 °C · 118.27°C (rough estimate)
- Density
- 1.2288 · 1.2288 (rough estimate)
- refractive index
- 1.41 · 1.4100 (estimate)
- storage temp.
- -20 °C · Storage temp. -20°C
- solubility
- Chloroform (Slightly), Methanol (Very Slightly)
- pka
- 1 · pK1: 3.32 (18°C,μ=0.1)
- form
- solid
- color
- Off-white
- BRN
- 1720278 · 1720278
- CAS DataBase Reference
- 1609 · 1609-93-4
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-chloro-, (2Z)- (1609-93-4)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 3-chloro-, (Z)-
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29161900
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers32 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
5 records
Compound notes
Loading…