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Basic information
- CAS
1245651-19-7- Standard SMILES
N#Cc1cc(F)c(CBr)cc1F- InChIKey
ZYBADXNEYMARJT-UHFFFAOYSA-N- Molecular formula
- C8H4BrF2N
- Average molar mass
- 232.02 g/mol
- Monoisotopic mass
- 230.94952
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2,5-difluorobenzonitrile
- IUPAC
- 4-(bromomethyl)-2,5-difluorobenzonitrile
- English name
- 4-(bromomethyl)-2,5-difluorobenzonitrile
- Molecular formula
- C8H4BrF2N
- Molecular weight
- 232.0248664
Names & synonyms
4-(BROMOMETHYL)-2,5-DIFLUOROBENZONITRILE1245651-19-7RefChem:515339972-674-2Benzonitrile, 4-(bromomethyl)-2,5-difluoro-SCHEMBL363766ZYBADXNEYMARJT-UHFFFAOYSA-N4-Cyano-2,5-difluorobenzylbromideVZB651192,5-Difluoro-4-(bromomethyl)benzonitrileDB-022013EN300-269986
Database identifiers
- CAS
1245651-19-7- PubChem CID
- 53404203
- EC Number
- 972-674-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
6 records
Compound notes
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