Basic information
- CAS
3336-43-4- Standard SMILES
Oc1cnc(Cl)c2ccccc12- InChIKey
JEVLGPVFFYUBRI-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.01379149
Names & identifiers
- Preferred name
- 1-Chloro-4-hydroxyisoquinoline
- IUPAC
- 1-chloroisoquinolin-4-ol
- English name
- 1-Chloro-4-hydroxyisoquinoline
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
1-Chloro-4-hydroxyisoquinolineRefChem:431403625-832-71-chloroisoquinolin-4-ol3336-43-4MFCD034259414-Isoquinolinol, 1-chloro-SCHEMBL13154741-chloro-4-hydroxy isoquinolineSCHEMBL29941311DTXSID204015351 -chloro-4-hydroxy isoquinoline
Show more names
1-Chloro-4-isoquinolinol1-Chloro-4-hydroxyisoquinoline, 97%,1-CHLORO-4-HYDROXYISOQUINOLINE 97 ISO 9001：2015 REACH
JEVLGPVFFYUBRI-UHFFFAOYSA-NDAA33643CL1021SBB0546021-Chloro-4-hydroxyisoquinoline, 97%AKOS015897029CS-W017248AC-23146
Database identifiers
- CAS
3336-43-4- PubChem CID
- 4281882
- DTXSID
DTXSID20401535- EC Number
- 625-832-7
- Nikkaji
- J2.618.792C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 184 · 184-188 °C (lit.)
- Density
- 1.412 · 1.412
- form
- solid
- color
- Pale pink
- InChI
- InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H
- InChIKey
- JEVLGPVFFYUBRI-UHFFFAOYSA-N
- SMILES
- C1(Cl)C2=C(C=CC=C2)C(O)=CN=1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
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
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 39 reports by companies from 2 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
- wgk
- 3
- hs_code
- 29334990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers44 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海珂华生物科技有限公司
Related reactions
30 records
Compound notes
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