3-Bromo-1-propanol
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Basic information
- CAS
627-18-9- Standard SMILES
OCCCBr- InChIKey
RQFUZUMFPRMVDX-UHFFFAOYSA-N- Molecular formula
- C3H7BrO
- Average molar mass
- 138.99 g/mol
- Monoisotopic mass
- 137.96803
Overview
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- 3-Bromo-1-propanol
- IUPAC
- 3-bromopropan-1-ol
- English name
- 3-Bromo-1-propanol
- Molecular formula
- C3H7BrO
- Molecular weight
- 138.99
Names & synonyms
3-Bromo-1-propanol627-18-9Trimethylene bromohydrin1-Propanol, 3-bromo-3-BROMOPROPANOL3-Hydroxypropyl bromide1-Bromo-3-propanol1-Bromo-3-hydroxypropaneCCRIS 5979UNII-3T4AXH68FH3-Bromopropanol-(1)DTXSID3024657
Show more names
3-bromoethanol3-bromo-1-propano3-Brumo-1-propanol3-bromo-propan-1-ol
EINECS 210-986-63T4AXH68FH3-BROMOPROPYL ALCOHOLBRN 0969160BROMO-1-PROPANOL, 3-AI3-523154-01-00-01446 (Beilstein Handbook Reference)DTXCID904657
Database identifiers
- CAS
627-18-9- PubChem CID
- 12308
- DTXSID
DTXSID3024657- ChEMBL
CHEMBL466545- ChEBI
CHEBI:144333- UNII
- 3T4AXH68FH
- EC Number
- 210-986-6
- Nikkaji
- J3.012K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 16.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Alcohols
SpringerMaterials PropertiesDensity
Density1.5374 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubility50 to 100 mg/mL at 70 °F (NTP, 1992)
Flash Point
201 °F (NTP, 1992)
201 °F
Boiling Point293 to 298 °F at 760 mmHg (NTP, 1992)
Vapor Pressure0.1 [mmHg]
Physical Description
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
Physicochemical properties
- Boiling point
- 62 °C/5 · 62 °C/5 mmHg (lit.)
- Density
- 1.537 g/mL · 1.537 g/mL at 25 °C (lit.)
- vapor pressure
- 0.13 hPa · 0.13 hPa (20 °C)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 167 g/l · 167g/l
- form
- Liquid
- pka
- 14.65 · 14.65±0.10(Predicted)
- Specific Gravity
- 1.6 · 1.60
- color
- Clear colorless to slightly yellow
- Water Solubility
- 167 g/L · 167 g/L (20 ºC)
- BRN
- 969160 · 969160
- Henry's Law Constant
- 8.2 · 8.2×100 mol/(m3Pa) at 25℃, Modarresi et al. (2007)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
- InChIKey
- RQFUZUMFPRMVDX-UHFFFAOYSA-N
- SMILES
- OCCCBr
- CAS DataBase Reference
- 627 · 627-18-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 T4AXH68FH · 3T4AXH68FH
- NIST Chemistry Reference
- 1 · 1-Propanol, 3-bromo-(627-18-9)
- EPA Substance Registry System
- 3 · 3-Bromo-1-propanol (627-18-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-41-36/37/38
- Safety Statements
- 26 · 26-39-37/39
- WGK Germany
- 3 · 3
- RTECS
- 7385000 · UA7385000
- F
- 8 · 8
- TSCA
- TSCA listed
- HS Code
- 29055910 · 29055910
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 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
H302 (78.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanol, 3-bromo-
3-Bromo-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Related compounds are eye, skin, and mucous membrane irritants and cause severe lung injury if aspirated.
Hazards SummarySkin irritant; [Quick CPC] Can cause severe lung injury if aspirated; [CAMEO] An irritant that may cause serious eye injury; Harmful by ingestion; [Aldrich MSDS] See 1-Chloro-2-propanol.
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity Profile3-BROMO-1-PROPANOL may be sensitive to prolonged exposure to light. (NTP, 1992)
Air and Water ReactionsHighly flammable. Water soluble.
Hazard Classes and CategoriesAcute Tox. 4 (78.4%)
Safety & protection
Fire FightingIt is combustible. Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA7385000
- hs_code
- 29055910
- risk_code
- 22-41-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 3-bromo-: ACTIVE
Applications
UsesStructure-mutagenic activity relationships in the Salmonella typhimurium TA100 strain in a series of short-chain halogenated hydrocarbons and alcohols.
UsesA reagent used in the synthesis of quaternary chiral prolines
Uses3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.
General DescriptionClear colorless liquid.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 3-Bromo-1-propanol is a primary alcohol.
Related reactions
905 records
Compound notes
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