Basic information
- CAS
20782-91-6- Standard SMILES
O=[N+]([O-])c1ccc(CBr)o1- InChIKey
CPZOCLCUJQJRBN-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO3
- Average molar mass
- 205.99 g/mol
- Monoisotopic mass
- 204.93746
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-5-nitrofuran
- IUPAC
- 2-(bromomethyl)-5-nitrofuran
- English name
- 2-(Bromomethyl)-5-nitrofuran
- Molecular formula
- C5H4BrNO3
- Molecular weight
- 205.99
Names & synonyms
2-(Bromomethyl)-5-nitrofuran20782-91-6RefChem:460016627-643-5Furan, 2-(bromomethyl)-5-nitro-MFCD002742352-(bromomethyl)-5-nitro-furan5-NITRO-2-FURFURYL BROMIDE2-Bromomethyl-5-nitro-furanSCHEMBL4823365-(bromomethyl)-2-nitrofuranWLZ3595
Show more names
TIMTEC-BB SBB000452TIMTEC-BB SBB0030912-(BROMOETHYL)-5-NITROFURAN4-CARBOXY-2-NITROBENZYLBROMID2-(Bromomethyl)-5-nitrofuran ,97%2-(BROMOMETHYL)-5-NITROFURAN 97%5-Nitro-2-furfuryl bromide, GC 97%4-(BROMOETHYL)-3-NITROBENZOIC ACID
CPZOCLCUJQJRBN-UHFFFAOYSA-N2-(Bromomethyl)-5-nitrofuran, 97%AKOS015912608FB34549AS-60475DA-27800SY113636ST50997531
Database identifiers
- CAS
20782-91-6- PubChem CID
- 719824
- EC Number
- 627-643-5
- Nikkaji
- J1.290.230A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 45 · 45-47 °C(lit.)
- Boiling point
- 277.8 · 277.8±25.0 °C(Predicted)
- Density
- 1.813 · 1.813±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- InChI
- 1S/C5H4BrNO3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
- InChIKey
- CPZOCLCUJQJRBN-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(CBr)o1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
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]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, 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
- F
- 19
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34-43-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
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（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
Related reactions
3 records
Compound notes
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