Basic information
- CAS
22612-53-9- Standard SMILES
CCC[13CH3]- InChIKey
IJDNQMDRQITEOD-OUBTZVSYSA-N- Molecular formula
- C4H10
- Average molar mass
- 59.11 g/mol
- Monoisotopic mass
- 59.08160515
Names & identifiers
- Preferred name
- Butane-1-13C
- IUPAC
- (113C)butane
- English name
- Butane-1-13C
- Molecular formula
- C4H10
- Molecular weight
- 59.13
Names & synonyms
Butane-1-13C22612-53-9DTXSID70468153RefChem:330538DTXCID30418972(113C)butaneButane-1-13C, 99 atom % 13C(1-~13~C)ButaneC2H6-1-13C??-Butane (1-13C, 99%)
Database identifiers
- CAS
22612-53-9- PubChem CID
- 11535546
- DTXSID
DTXSID70468153- EC Number
- 693-174-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 2
Physicochemical properties
- Melting point
- 138 °C · −138 °C(lit.)
- Boiling point
- 0.5 °C · −0.5 °C(lit.)
- vapor density
- 2.11 · 2.11 (vs air)
- vapor pressure
- 51.6 psi · 51.6 psi ( 37.7 °C)
- CAS Number Unlabeled
- 106 · 106-97-8
- Symbol(GHS)
- 2 · GHS02,GHS04
- Signal word
- Danger
- Hazard statements
- 220 · H220-H280
- Precautionary statements
- 210 · P210-P377-P381-P410+P403
- Hazard Codes
- F,Xi,F+
- Risk Statements
- 11 · 11-36/37-12
- Safety Statements
- 16 · 16-26-33-38
- RIDADR
- 1011 · UN 1011 2.1
- WGK Germany
- 3 · 3
- Autoignition Temperature
- 761 °F · 761 °F
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P280, P377, P381, P403, and P410+P403 (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. Gas 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1011 2.1
- risk_code
- 11-36/37-12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS04
- hazard_code
- F,Xi,F+
- safety_code
- 16-26-33-38
- Hazard statements
- H220-H280
- Autoignition Temperature
- 761 °F
- Precautionary statements
- P210-P377-P381-P410+P403
Chemistry & industry
Suppliers12 total
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
尚澜气体（上海）有限公司4001882517 13194677939 · [email protected]
上海嘉斯保气体有限公司13218776790 13218776790 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
茂图气体设备（上海）有限公司17301833415 · [email protected]
上海众巍化学有限公司18824865657 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
苏州长友气体有限公司13915558823 · [email protected]
佛山市智程气体有限公司18098161577 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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