Basic information
- Standard SMILES
OCc1ccnc(Cl)c1- InChIKey
UDDVPFLXGOBESH-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO
- Average molar mass
- 143.57 g/mol
- Monoisotopic mass
- 143.01379149
Overview
(2-Chloro-4-pyridinyl)methanol is an organohalogen compound and a member of pyridines.
Names & identifiers
- Preferred name
- (2-Chloropyridin-4-yl)methanol
- IUPAC
- (2-chloro-4-pyridinyl)methanol
- English name
- (2-Chloro-pyridin-4-yl)-methanol
- Molecular formula
- C6H6ClNO
- Molecular weight
- 143.57
Names & synonyms
100704-10-7(2-chloropyridin-4-yl)methanolDTXSID00427672RefChem:395688DTXCID70378506680-968-42-Chloropyridine-4-methanol(2-Chloro-4-pyridinyl)methanol2-Chloro-4-(hydroxymethyl)pyridine4-PYRIDINEMETHANOL, 2-CHLORO-(2-CHLORO-PYRIDIN-4-YL)-METHANOL2-Chloro-4-pyridinemethanol
Show more names
oro-4-pyridinyLBUTTPARK 154\50-15(2-chloro-4-pyridyl)methanol2-Chloro-4-pyridinemethanol >2-Chloropyridine-4-methanol,97%
MFCD068587672-Chloro-4-hydroxymethylpyridineMLS000582507HMS2509J07AC-9503(2-Chloro-4-pyridinyl)methanol, 97%SMR000206493SY007312
Database identifiers
- CAS
100704-10-7- PubChem CID
- 7062237
- DTXSID
DTXSID00427672- ChEMBL
CHEMBL1545251- ChEBI
CHEBI:194637- EC Number
- 680-968-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Physicochemical properties
- Melting point
- 65.5 °C · 65.5 °C
- Boiling point
- 279 · 279.0±25.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 13.08 · 13.08±0.10(Predicted)
- color
- White to Light yellow
- λmax
- 262 nm · 262nm(MeOH)(lit.)
- InChI
- 1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
- InChIKey
- UDDVPFLXGOBESH-UHFFFAOYSA-N
- SMILES
- OCc1ccnc(Cl)c1
- CAS DataBase Reference
- 100704 · 100704-10-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-28-45
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful
- safety_code
- 26-28-45
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(2-chloro-4-pyridinyl)methanol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
Additional notes
DefinitionChEBI: (2-Chloro-4-pyridinyl)methanol is a member of pyridines and an organohalogen compound.
Related reactions
101 records
Linked notes
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