Basic information
- CAS
626250-55-3- Standard SMILES
Cc1ccc(CBr)cc1I- InChIKey
KGNUABJQDUDQQY-UHFFFAOYSA-N- Molecular formula
- C8H8BrI
- Average molar mass
- 310.96 g/mol
- Monoisotopic mass
- 309.88541
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2-iodo-1-methylbenzene
- IUPAC
- 4-(bromomethyl)-2-iodo-1-methylbenzene
- English name
- 3-iodo-4-methylbenzyl bromide
- Molecular formula
- C8H8BrI
- Molecular weight
- 310.96
Names & synonyms
626250-55-34-(BROMOMETHYL)-2-IODO-1-METHYLBENZENEDTXSID30695342RefChem:288609DTXCID30646091970-023-73-iodo-4-methylbenzyl bromideMFCD097451204-Bromomethyl-2-iodo-1-methyl-benzene3-Iodo-4-methylbenzylbromideSCHEMBL175800594-(bromomethyl)-2-iodo-1-methyl-benzene
Show more names
Benzene, 4-(bromomethyl)-2-iodo-1-methyl-
DA-41879EN300-7654142F545804
Database identifiers
- CAS
626250-55-3- PubChem CID
- 53404205
- DTXSID
DTXSID30695342- EC Number
- 970-023-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 58 · 58-60 °C
- Boiling point
- 296.3 · 296.3±28.0 °C(Predicted)
- Density
- 1.977 · 1.977±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340
- HS Code
- 2903998090 · 2903998090
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]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P303+P361+P353-P304+P340
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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