Basic information
- CAS
676-49-3- Standard SMILES
[2H]C- InChIKey
VNWKTOKETHGBQD-MICDWDOJSA-N- Molecular formula
- CH4
- Average molar mass
- 17.049 g/mol
- Monoisotopic mass
- 17.03757687
Names & identifiers
- Preferred name
- Methane-D1
- IUPAC
- deuteriomethane
- English name
- Methane (d1)
- Molecular formula
- CH3D
- Molecular weight
- 17.05
Names & synonyms
METHANE-D1676-49-3DTXSID70274514RefChem:352159DTXCID90225987deuteriomethaneMethane-d1 (gas)deuteromethane(~2~H_1_)MethaneSCHEMBL118488SCHEMBL992177Methane-d1, 98 atom % D
Show more names
BL 194METHANE-DMethane (d1)METHANE (D1, 98%)Methane-d1 (CDH3)Methane (D?, 98%)Penthydroxyfyllinemonodeuteriomethane
SCHEMBL9376435SCHEMBL9763796SCHEMBL30032810VNWKTOKETHGBQD-MICDWDOJSA-NAKOS015915656
Database identifiers
- CAS
676-49-3- PubChem CID
- 12669
- DTXSID
DTXSID70274514- EC Number
- 694-721-3
- Nikkaji
- J567.178G、J808.215D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 1
- Formal charge
- 0
- Complexity
- 0
Physicochemical properties
- Melting point
- 183 °C · −183 °C(lit.)
- Boiling point
- 161 °C · −161 °C(lit.)
- Flash point
- -188 ℃ · -188℃
- Stability
- Stable. Highly flammable. Incompatible with strong oxidizing agents, halogens.
- InChI
- InChI=1S/CH4/h1H4/i1D
- InChIKey
- VNWKTOKETHGBQD-MICDWDOJSA-N
- SMILES
- C[2H]
- CAS Number Unlabeled
- 74 · 74-82-8
- Symbol(GHS)
- 2 · GHS02,GHS04
- Signal word
- Danger
- Hazard statements
- 220 · H220-H280
- Precautionary statements
- 210 · P210-P377-P381-P410+P403
- Hazard Codes
- F+
- Risk Statements
- 12 · 12
- Safety Statements
- 16 · 16-38-33-9
- RIDADR
- 1971 · UN 1971 2.1
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 1971 2.1
- risk_code
- 12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS04
- hazard_code
- F+
- safety_code
- 16-38-33-9
- Hazard statements
- H220-H280
- Precautionary statements
- P210-P377-P381-P410+P403
Chemistry & industry
Applications
UsesA major oxidative metabolite of Pentoxifylline. A potent inhibitor of phosphatidic acid generation (IC50=0.6uM). Protects mice from endotoxic shock and attenuates sepsis-induced acute lung injury in pig
Suppliers18 total
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
盐城通铭生物科技有限公司15195160625 · [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]
Clearsynth Labs Limited+91-22-26355700 · [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]
武汉百思达气体有限公司4006983299; 15072387200 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…