CAS 33674-96-3 (6-Bromopyridin-2-yl)methanol (HCID 3517811)

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Basic information

CAS: 33674-96-3
Standard SMILES: OCc1cccc(Br)n1
InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N
Molecular formula: C6H6BrNO
Average molar mass: 188.02 g/mol
Monoisotopic mass: 186.96327591

Names & identifiers

Preferred name: (6-Bromopyridin-2-yl)methanol
IUPAC: (6-bromo-2-pyridinyl)methanol
English name: 2-Bromo-6-pyridinemethanol
Molecular formula: C6H6BrNO
Molecular weight: 188.02

Names & synonyms

33674-96-3(6-bromopyridin-2-yl)methanolXDDGKNRSCDEWBR-UHFFFAOYADTXSID10393238RefChem:69675DTXCID60344098628-497-5InChI=1/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H22-Bromo-6-(hydroxymethyl)pyridine2-Bromo-6-pyridinemethanol6-Bromo-2-(hydroxymethyl)pyridine6-Bromo-2-pyridinemethanol

Show more names

RARECHEM AL BD 0899(6-Bromopyridin-2-yl)me2-broMopyridine-6-Methanol2-Pyridinemethanol, 6-bromo-(6-BroMo-2-pyridinyl)Methanol(2-Bromopyridin-6-yl)methanol

(6-Bromo-Pyridin-2-yl)-Methanol2-BROMO-6-HYDROXYMETHYLPYRIDINE(6-Bromo-pyridin-2-yl)methanol6-bromopyridine-2-methanol(6-bromo-pyridine-2-yl)methanolMFCD040398842-bromo-6-pyridine methanol(6-bromo-2-pyridyl)methanol

Database identifiers

CAS: 33674-96-3
PubChem CID: 3517811
DTXSID: DTXSID10393238
EC Number: 628-497-5
Nikkaji: J1.657.544E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 89.1

Physicochemical properties

Melting point: 34 · 34-39 °C(lit.)
Boiling point: 246 °C · 246 °C(lit.)
Density: 1.668 · 1.668±0.06 g/cm3(Predicted)
Flash point: 210 °F · 210 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Powder
pka: 13.09 · 13.09±0.10(Predicted)
color: White to off-white
Water Solubility: Slightly soluble in water.
InChI: 1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N
SMILES: OCc1cccc(Br)n1
CAS DataBase Reference: 33674 · 33674-96-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Bromo-6-pyridinemethanol is used in the preparation of 2,6-diaminopyridine compounds for treating diseases associated with amyloid or amyloid-like proteins, especially ocular diseases.

UsesIt is an active pharmaceutical ingredient and an pharmaceutical adjuvant.