Basic information
- CAS
759-97-7- Standard SMILES
COCC(Br)C(OC)OC- InChIKey
GAFSXURUCDQGFB-UHFFFAOYSA-N- Molecular formula
- C6H13BrO3
- Average molar mass
- 213.07 g/mol
- Monoisotopic mass
- 212.00481
Names & identifiers
- Preferred name
- 2-Bromo-1,1,3-trimethoxypropane
- IUPAC
- 2-bromo-1,1,3-trimethoxypropane
- English name
- 2-BROMO-1 1 3 -TRIMETHOXYPROPANE 95
- Molecular formula
- C6H13BrO3
- Molecular weight
- 213.07
Names & synonyms
2-Bromo-1,1,3-trimethoxypropane759-97-7Propane, 2-bromo-1,1,3-trimethoxy-1-Bromo-2-methoxypropional dimethylacetalDTXSID10883563RefChem:750761-BMPDADTXCID801023083212-074-3MFCD001918632-Bromo-3-methoxypropionaldehyde dimethyl acetalPropionaldehyde, 2-bromo-3-methoxy-, dimethyl acetal
Show more names
2-BROMO-1 1 3 -TRIMETHOXYPROPANE 951-bromo-2-methoxypropionaldimethylacetal2-bromo-3-methoxypropionaldehydedimethylacetal2-bromo-3-methoxy-propionaldehyddimethylacetal
NSC63882-bromo-1,1,3-trimethoxy-propaneNSC 6388EINECS 212-074-3Propane,1,3-trimethoxy-SCHEMBL165322452-bromo-1,1,3-trimethoxy-propanNSC-6388
Database identifiers
- CAS
759-97-7- PubChem CID
- 94187
- DTXSID
DTXSID10883563- EC Number
- 212-074-3
- Nikkaji
- J193.123G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 75.4
Physicochemical properties
- Boiling point
- 54 · 54-55 °C/21 mmHg(lit.)
- Density
- 1.395 g/mL · 1.395 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 76 °C · 76 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H13BrO3/c1-8-4-5(7)6(9-2)10-3/h5-6H,4H2,1-3H3
- InChIKey
- GAFSXURUCDQGFB-UHFFFAOYSA-N
- SMILES
- C(OC)(OC)C(Br)COC
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Propane, 2-bromo-1,1,3-trimethoxy- (759-97-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TX4185000
- ridadr
- UN 2810 6.1/PG 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 2-bromo-1,1,3-trimethoxy-: ACTIVE
Applications
Uses2-Bromo-1,1,3-trimethoxypropane is a stain/dye. Dyes and metabolites.
Upstream & downstream products
Downstream products
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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