Basic information
- Standard SMILES
C=C[13C](=O)O- InChIKey
NIXOWILDQLNWCW-LBPDFUHNSA-N- Molecular formula
- C3H4O2
- Average molar mass
- 73.06 g/mol
- Monoisotopic mass
- 73.02448421
Names & identifiers
- Preferred name
- Acrylic acid-1-13C
- IUPAC
- (113C)prop-2-enoic acid
- English name
- ACRYLIC ACID (1-13C)
- Molecular formula
- C3H4O2
- Molecular weight
- 73.07
Names & synonyms
Acrylic acid-1-13CRefChem:552823685-723-595387-98-7(113C)Prop-2-enoic acidAcrylic Acid-13CDTXSID40514651(1-~13~C)Prop-2-enoic acidSCHEMBL26040093Acrylic acid-1-13C, >=99 atom % 13C, >=99% (CP), contains hydroquinone as stabilizeracrylic acidACRYLIC ACID (1-13C)
Show more names
ACRYLIC-1-13C ACID, 99 ATOM % 13CAcrylic acid (+ 0.1% 4-methoxyphenol) (1-13C, 99%) (<5% H?O)
Database identifiers
- CAS
95387-98-7- PubChem CID
- 12999056
- DTXSID
DTXSID40514651- EC Number
- 685-723-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 55.9
Physicochemical properties
- Melting point
- 13 °C · 13 °C (lit.)
- Boiling point
- 139 °C · 139 °C (lit.)
- Density
- 1.065 g/mL · 1.065 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.4202(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i3+1
- InChIKey
- NIXOWILDQLNWCW-LBPDFUHNSA-N
- SMILES
- O[13C](=O)C=C
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 79 · 79-10-7
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302+H312+H332-H314-H410
- Precautionary statements
- 210 · P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- C,N
- Risk Statements
- 10 · 10-34-50-35-20/21/22
- Safety Statements
- 26 · 26-36-45-61-36/37/39
- RIDADR
- 2218 · UN 2218 8/PG 2
- WGK Germany
- 3 · 3
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2218 8/PG 2
- risk_code
- 10-34-50-35-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS09
- hazard_code
- C,N
- safety_code
- 26-36-45-61-36/37/39
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H302+H312+H332-H314-H410
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
- Precautionary statements
- P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海稳同科技有限公司02151600108 13062666369 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
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Linked notes
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