Basic information
- CAS
942947-95-7- Standard SMILES
Nc1ncc(Br)c(Cl)c1[N+](=O)[O-]- InChIKey
BLGCPXIDEMLKMS-UHFFFAOYSA-N- Molecular formula
- C5H3BrClN3O2
- Average molar mass
- 252.45 g/mol
- Monoisotopic mass
- 250.90971612
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-3-nitropyridin-2-amine
- IUPAC
- 5-bromo-4-chloro-3-nitropyridin-2-amine
- English name
- 2-Amino-5-bromo-4-chloro-3-nitropyridine
- Molecular formula
- C5H3BrClN3O2
- Molecular weight
- 252.45
Names & synonyms
942947-95-75-bromo-4-chloro-3-nitropyridin-2-amineDTXSID70670259RefChem:533665DTXCID10621008103-324-12-Amino-5-bromo-4-chloro-3-nitropyridineMFCD111106935-BROMO-4-CHLORO-3-NITRO-PYRIDIN-2-YLAMINESCHEMBL2081515-BROMO-4-CHLORO-3-NITRO-2-PYRIDINAMINEAKOS015854980
Show more names
2-AMino-5-broMo-4-chloro-...2-Pyridinamine, 5-bromo-4-chloro-3-nitro-2-Amino-5-bromo-4-chloro-3-nitropyridine ISO 9001：2015 REACH
AKOS025395613PB282335-bromo-4-chloro-3-nitro-pyridin-2-amineABBYPHARMA AP-31-1051AM804585BC004449DS-12763SY097004
Database identifiers
- CAS
942947-95-7- PubChem CID
- 45480236
- DTXSID
DTXSID70670259- EC Number
- 103-324-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 338.4 · 338.4±37.0 °C(Predicted)
- Density
- 2.02 · 2.020
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -0.88 · -0.88±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C5H3BrClN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
- InChIKey
- BLGCPXIDEMLKMS-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(Br)C(Cl)=C1[N+]([O-])=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
苏州启航生物科技有限公司18151111370 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
Related reactions
64 records
Compound notes
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