Basic information
- Standard SMILES
O=[N+]([O-])c1cc(Br)cnc1Cl- InChIKey
WWQQPSDIIVXFOX-UHFFFAOYSA-N- Molecular formula
- C5H2BrClN2O2
- Average molar mass
- 237.44 g/mol
- Monoisotopic mass
- 235.89881708
Names & identifiers
- Preferred name
- 5-Bromo-2-chloro-3-nitropyridine
- IUPAC
- 5-bromo-2-chloro-3-nitropyridine
- English name
- 5-Bromo-2-chloro-3-nitropyridine
- Molecular formula
- C5H2BrClN2O2
- Molecular weight
- 237.44
Names & synonyms
5-Bromo-2-chloro-3-nitropyridine67443-38-3DTXSID60427113RefChem:301604DTXCID60377947675-866-15-Bromo-2-chloro-3-nitro-pyridine2-Chloro-3-nitro-5-bromopyridinePYRIDINE, 5-BROMO-2-CHLORO-3-NITRO-MFCD002222702-chloro-3-nitro-5-bromo pyridineSCHEMBL422756
Show more names
5-Bromo-2-chRARECHEM AL BO 2390IFLAB-BB F1957-00015-BROMO-2-PICOLINIC ACIDMedetomidine Impurity 655-BROMO-2-CARBOXYPYRIDINE5-Bromo-2-chloro-3-nitrop...2-CHLORO-5-BROMO-3-NITROPYRIDINE
CS-D0810PS-4910B3963EN300-530672-Chloro-3-nitro-5-bromopyridine; 5-bromo-2-chloro-3-nitro-pyridine;5-Bromo-2-chlorA9036AM20061432
Database identifiers
- CAS
67443-38-3- PubChem CID
- 7019412
- DTXSID
DTXSID60427113- EC Number
- 675-866-1
- Nikkaji
- J1.761.268I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 65 · 65-70 °C
- Boiling point
- 285.4 · 285.4±35.0 °C(Predicted)
- Density
- 1.936 · 1.936±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- -4.99 · -4.99±0.10(Predicted)
- form
- Crystalline Powder
- color
- Yellow
- InChI
- InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
- InChIKey
- WWQQPSDIIVXFOX-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(Br)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 67443 · 67443-38-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- Hazard Codes
- Xn,Xi,T
- Risk Statements
- 36 · 36/37/38-21/22-41-37/38-25-22
- Safety Statements
- 37 · 37/39-26-45-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (89.1%)
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 36/37/38-21/22-41-37/38-25-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn,Xi,T
- hazard_note
- Harmful
- safety_code
- 37/39-26-45-36
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-Bromo-2-chloro-3-nitropyridine is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
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