Basic information
- CAS
121554-10-7- Standard SMILES
N#Cc1cc(Br)ccc1I- InChIKey
JIGKPMMZNMQXDL-UHFFFAOYSA-N- Molecular formula
- C7H3BrIN
- Average molar mass
- 307.91 g/mol
- Monoisotopic mass
- 306.84936
Names & identifiers
- Preferred name
- 5-Bromo-2-iodobenzonitrile
- IUPAC
- 5-bromo-2-iodobenzonitrile
- English name
- 5-Bromo-2-iodobenzonitrile
- Molecular formula
- C7H3BrIN
- Molecular weight
- 307.91
Names & synonyms
5-Bromo-2-iodobenzonitrile121554-10-7DTXSID30427307RefChem:102133DTXCID10378141601-788-4Benzonitrile, 5-bromo-2-iodo-MFCD006729505-Bromo-2-iodo-benzonitrileSCHEMBL1425235-bromo-2-iodobenzenecarbonitrileAKOS015834756
Show more names
iodo-Benzonitrile2-Iodo-5-Bromobenzonitrile2-iodo-5-bromophenyl a nitrile5-Bromo-2-iodobenzonitrile >5-BROMO-2-IODOBENZONITRILE, 98+%
CS-W008515AC-26113SY016992AM61304FT-0620097SCHEMBL29439578SBB064618DS-1630
Database identifiers
- CAS
121554-10-7- PubChem CID
- 7020874
- DTXSID
DTXSID30427307- EC Number
- 601-788-4
- Nikkaji
- J2.211.063B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 120 · 120-122°C
- Boiling point
- 310.4 · 310.4±27.0 °C(Predicted)
- Density
- 2.13 · 2.13
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Sensitive
- Light Sensitive
- BRN
- 4860282 · 4860282
- CAS DataBase Reference
- 121554 · 121554-10-7(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
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 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (83.3%): 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, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)；Acute Tox. 4 (83.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (83.3%)；STOT SE 3 (83.3%)
Safety data
- ridadr
- 3439
- hs_code
- 29269090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
Chemistry & industry
Applications
Uses5-Bromo-2-iodobenzonitrile is a nitrile organic compound that can be used as an organic intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海览辉科技有限公司15921634331 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
24 records
Compound notes
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