Basic information
- CAS
19689-86-2- Standard SMILES
COc1cccc([N+](=O)[O-])c1CBr- InChIKey
QWZQICKUZAGVFN-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO3
- Average molar mass
- 246.06 g/mol
- Monoisotopic mass
- 244.96875522
Names & identifiers
- Preferred name
- Benzene, 2-(bromomethyl)-1-methoxy-3-nitro-
- IUPAC
- 2-(bromomethyl)-1-methoxy-3-nitrobenzene
- English name
- PARA-NITROBENZYLBROMIDE
- Molecular formula
- C8H8BrNO3
- Molecular weight
- 246.06
Names & synonyms
19689-86-2Benzene, 2-(bromomethyl)-1-methoxy-3-nitro-DTXSID50173354RefChem:323879DTXCID40958452-(Bromomethyl)-1-methoxy-3-nitrobenzene2-methoxy-6-nitrobenzyl bromide2-bromomethyl-1-methoxy-3-nitro-benzeneMFCD17168655PARA-NITROBENZYLBROMIDE2-(bromomethyl)-1-methoxy-3-nitro-benzeneNitrobenzene, 3-methoxy-2-bromomethyl-
Show more names
SCHEMBL942091SCHEMBL30116206AC5146AKOS027440486PS-9853SB35101SY0360542-(bromomethyl)-3-methoxy-1-nitrobenzene
Database identifiers
- CAS
19689-86-2- PubChem CID
- 186047
- DTXSID
DTXSID50173354- Nikkaji
- J59.689B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 316.6 · 316.6±27.0 °C(Predicted)
- Density
- 1.589 · 1.589±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- brown solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P280-P301+P312
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909309090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Suppliers24 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
扬州化工股份有限公司18936227980 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
陕西沃品化工科技有限公司18792798662
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
14 records
Compound notes
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