Basic information
- CAS
757978-18-0- Standard SMILES
Brc1cnc2[nH]cc(I)c2c1- InChIKey
GIPGJYARDOQGDJ-UHFFFAOYSA-N- Molecular formula
- C7H4BrIN2
- Average molar mass
- 322.93 g/mol
- Monoisotopic mass
- 321.86025823
Names & identifiers
- Preferred name
- 5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine
- IUPAC
- 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
- English name
- 5-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C7H4BrIN2
- Molecular weight
- 322.93
Names & synonyms
5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine757978-18-0DTXSID006401025-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridineRefChem:301794DTXCID80590853626-727-95-Bromo-3-iodo-7-azaindoleMFCD077795191H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-3-IODO-SCHEMBL686625-Bromo-3-iodo-7-azaindole, 97%
Show more names
Zinc043527003-Bromo-5-iodo-7H-pyrrolo[2,3-b]pyridine5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine 97%
AKOS015834506PB20208EN300-138675Z1269150540AM20061488FT-0650357A23056ALBB-037972
Database identifiers
- CAS
757978-18-0- PubChem CID
- 24229212
- DTXSID
DTXSID00640102- EC Number
- 626-727-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 234 · 234-239 °C
- Boiling point
- 324 ℃ · 324℃
- Density
- 2.52 · 2.52
- Flash point
- 150 ℃ · 150℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 11.42 · 11.42±0.40(Predicted)
- color
- Off-white to light yellow
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C7H4BrIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
- InChIKey
- GIPGJYARDOQGDJ-UHFFFAOYSA-N
- SMILES
- C12NC=C(I)C1=CC(Br)=CN=2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
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 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses5-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine is a useful intermediate for organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
38 records
Compound notes
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