Basic information
- CAS
34649-21-3- Standard SMILES
O=C(O)c1cc(Br)c(Br)[nH]1- InChIKey
ZUROCNHARMFRKA-UHFFFAOYSA-N- Molecular formula
- C5H3Br2NO2
- Average molar mass
- 268.89 g/mol
- Monoisotopic mass
- 266.85305
Names & identifiers
- Preferred name
- 4,5-Dibromo-2-Pyrrolic Acid
- IUPAC
- 4,5-dibromo-1H-pyrrole-2-carboxylic acid
- English name
- 4,5-Dibromo-1H-pyrrole-2-carboxylic acid
- Molecular formula
- C5H3Br2NO2
- Molecular weight
- 268.89
Names & synonyms
4,5-dibromo-1H-pyrrole-2-carboxylic acid34649-21-3DBPA4,5-Dibromo-2-pyrrolic acid1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-DTXSID40188210RefChem:96441DTXCID70110701987-448-9MFCD013482294,5-DIBROMO-1H-PYRROLE-2-CARBOXYLICACIDCHEMBL397590
Show more names
5-Carboxy-2,3-dibromo-1H-pyrrole4,5-Dibromo-1H-Pyrrole-2-Carboxylic Acid, 10 mM in DMSO
orb1296828orb1940069SCHEMBL1518075ZUROCNHARMFRKA-UHFFFAOYSA-NJBA64921NSC320005TN71724,5-dibromopyrrole-2-carboxylic acid
Database identifiers
- CAS
34649-21-3- PubChem CID
- 161830
- DTXSID
DTXSID40188210- ChEMBL
CHEMBL397590- EC Number
- 987-448-9
- Nikkaji
- J88.956C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 300 °C · >300°C
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4,5-Dibromo-2-pyrrolic acid (compound 2) is an immunosuppressive compound. 4,5-Dibromo-2-pyrrolic acid suppresses the proliferative response of splenocytes to suboptimal concentrations of the mitogen, concanavalin A (Con A)[1].
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都沸柏医药科技有限公司
Related reactions
27 records
Compound notes
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