1-Bromopentane-5,5,5-d3
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Basic information
- CAS
75736-50-4- Standard SMILES
[2H]C([2H])([2H])CCCCBr- InChIKey
YZWKKMVJZFACSU-FIBGUPNXSA-N- Molecular formula
- C5H11Br
- Average molar mass
- 154.06 g/mol
- Monoisotopic mass
- 153.02324
Names & identifiers
- Preferred name
- 1-Bromopentane-5,5,5-d3
- IUPAC
- 5-bromo-1,1,1-trideuteriopentane
- English name
- 1-BROMOPENTANE-5,5,5-D3
- Molecular formula
- C5H11Br
- Molecular weight
- 151.05
Names & synonyms
1-Bromopentane-5,5,5-d375736-50-4DTXSID70480855RefChem:228703DTXCID704316655-bromo-1,1,1-trideuteriopentaneSCHEMBL139164721-bromo(5,5,5-?H?)pentane1-Bromo(5,5,5-~2~H_3_)pentaneDB-3120201-Bromopentane-5,5,5-d3, 99 atom % DD98279
Show more names
1-BroMopentane--d3Amyl bromide-5,5,5-d31-BROMOPENTANE (METHYL-D3)1-Bromopentane (methyl-D?, 98%)
Database identifiers
- CAS
75736-50-4- PubChem CID
- 12216004
- DTXSID
DTXSID70480855- EC Number
- 694-071-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 19.9
Physicochemical properties
- Melting point
- -95 °C · -95 °C(lit.)
- Boiling point
- 130 °C · 130 °C(lit.)
- Density
- 1.242 g/mL · 1.242 g/mL at 25 °C
- Flash point
- 88 °F · 88 °F
- InChI
- 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3/i1D3
- InChIKey
- YZWKKMVJZFACSU-FIBGUPNXSA-N
- SMILES
- [2H]C([2H])([2H])CCCCBr
- UNSPSC Code
- 12352202 · 12352202
- CAS Number Unlabeled
- 110 · 110-53-2
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H226
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- rtecs
- RZ9770000
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H315-H335-H319-H226
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses1-Bromopentane-5,5,5-d3 (CAS# 75736-50-4) is a useful isotopically labeled research compound.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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