Basic information
- Standard SMILES
BrCC1CCCO1- InChIKey
VOHILFSOWRNVJJ-UHFFFAOYSA-N- Molecular formula
- C5H9BrO
- Average molar mass
- 165.03 g/mol
- Monoisotopic mass
- 163.98367701
Names & identifiers
- Preferred name
- Furan, 2-(bromomethyl)tetrahydro-
- IUPAC
- 2-(bromomethyl)oxolane
- English name
- Tetrahydrofurfuryl bromide
- Molecular formula
- C5H9BrO
- Molecular weight
- 165.03
Names & synonyms
Tetrahydrofurfuryl bromide2-(Bromomethyl)tetrahydrofuranFuran, 2-(bromomethyl)tetrahydro-FURAN, TETRAHYDRO-2-(BROMOMETHYL)-EINECS 214-750-3NSC 93886BRN 0102717DTXSID108708575-17-01-00080 (Beilstein Handbook Reference)RefChem:607733DTXCID00818541214-750-3
Show more names
TIMTEC-BB SBB003909TETRAHYDROFRUFRYL BROMIDEα-(Bromomethyl)tetrafuran2-(bromomethyl)tetrahydro-furatetrahydro-2-(bromomethyl)-fura(RS)-Tetrahydrofurfuryl bromideA-(BROMOMETHYL)TETRA HYDROFURAN
1192-30-92-(bromomethyl)oxolane(+/-)-tetrahydrofurfuryl bromideMFCD000168942-(Bromomethyl)-tetrahydrofuranTetrahydrofurfurylbromide2-Bromomethyl-tetrahydrofuran(2R)-2-Bromomethyl)oxolane
Database identifiers
- CAS
1192-30-9- PubChem CID
- 14501
- DTXSID
DTXSID10870857- EC Number
- 214-750-3
- Nikkaji
- J40.595G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Boiling point
- 170 · 170-171 °C (755 mmHg)
- Density
- 1.45 · 1.45
- refractive index
- 1.4853 · 1.4853-1.4873
- Flash point
- 63 °C · 63 °C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Light Yellow
- BRN
- 102717 · 102717
- InChI
- InChI=1S/C5H9BrO/c6-4-5-2-1-3-7-5/h5H,1-4H2
- InChIKey
- VOHILFSOWRNVJJ-UHFFFAOYSA-N
- SMILES
- O1CCCC1CBr
- CAS DataBase Reference
- 1192 · 1192-30-9(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Furan, 2-(bromomethyl)tetrahydro- (1192-30-9)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 24 · 24/25
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · WGK 3
- RTECS
- 6000000 · LU6000000
- TSCA
- TSCA listed
- HS Code
- 29321900 · 29321900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03416,
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- LU6000000
- ridadr
- 1993
- hs_code
- 29321900
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03416,
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H227-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFuran, 2-(bromomethyl)tetrahydro-: INACTIVE
Applications
Uses(±)-Tetrahydrofurfuryl Bromide is a general chemical reagent used in the synthesis of tubulin polymerization inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
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