2-Bromo-4-(hydroxymethyl)benzonitrile

HCID 288434
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Basic information

CAS
90110-97-7
Standard SMILES
N#Cc1ccc(CO)cc1Br
InChIKey
APZLAHOHUDEQQM-UHFFFAOYSA-N
Molecular formula
C8H6BrNO
Average molar mass
212.04 g/mol
Monoisotopic mass
210.96328

Names & identifiers

Preferred name
2-Bromo-4-(hydroxymethyl)benzonitrile
IUPAC
2-bromo-4-(hydroxymethyl)benzonitrile
English name
3-Bromo-4-cyanobenzyl alcohol
Molecular formula
C8H6BrNO
Molecular weight
212.04

Names & synonyms

2-bromo-4-(hydroxymethyl)benzonitrile90110-97-7MFCD092610443-Bromo-4-cyanobenzylalcoholNSC149635SCHEMBL7571054SCHEMBL16956376DTXSID60302198APZLAHOHUDEQQM-UHFFFAOYSA-NAC7179AKOS037629616NSC-149635
Show more names
3-Bromo-4-cyanobenzyl alcohol4-BroMo-2-(hydroxyMethyl)benzonitrile
Benzonitrile,2-bromo-4-(hydroxymethyl)-DA-26876SY041204CS-0459396F779081

Database identifiers

CAS
90110-97-7
PubChem CID
288434
DTXSID
DTXSID60302198

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
374.3 · 374.3±37.0 °C(Predicted)
Density
1.67 · 1.67±0.1 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
13.69 · 13.69±0.10(Predicted)
Appearance
White to off-white Solid

Chemistry & industry

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州稀亚生物科技有限公司13775267187
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]

Related reactions

48 records
New reaction record

Compound notes

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