Basic information
- CAS
5423-67-6- Standard SMILES
OC1CNc2c(ccc3ccccc23)C1- InChIKey
WKJMQLMWPMZUQH-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydrobenzo(h)quinolin-3-ol
- IUPAC
- 1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
- English name
- 3-Hydroxy-1,2,3,4-tetrahydrobenzo[h]quinoline
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
1,2,3,4-Tetrahydrobenzo[h]quinolin-3-ol1,2,3,4-Tetrahydrobenzo(h)quinolin-3-olNSC 13233EINECS 226-556-6RefChem:410557226-556-65423-67-63-hydroxy-1,2,3,4-tetrahydrobenzo[h]quinolineMFCD005073451H,2H,3H,4H-benzo[h]quinolin-3-olOprea1_792749SCHEMBL132457
Show more names
4-Tetrahydrobenzo[h]quinolin-3-olBenzo[h]quinolin-3-ol, 1,2,3,4-tetrahydro-(3R)-1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol3-Hydroxy1,2,3,4 tetrahydrobenzo H quinolin3ol3-Hydroxy-1,2,3,4-tetrahydrobenzo-[h]-chinolin Hydrochlorid3-Hydroxy-1,2,3,4-tetrahydrobenzo[h]quinoline 5423-67-6
MLS002638308HMS1748I11HMS3086J19AC-292681,2,3,4-Tetrahydrobenzo[h]quinolin-3-ol #W167631,2,3,4-Tetrahydro-benzo[h]quinolin-3-ol3-hydroxy-1,2,3,4-tetrahydrobenzo(h)quinoline
Database identifiers
- CAS
5423-67-6- PubChem CID
- 95477
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Boiling point
- 424.3 · 424.3±34.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Solid
- pka
- 14.33 · 14.33±0.20(Predicted)
- color
- Off-white to gray
- InChI
- InChI=1S/C13H13NO/c15-11-7-10-6-5-9-3-1-2-4-12(9)13(10)14-8-11/h1-6,11,14-15H,7-8H2
- InChIKey
- WKJMQLMWPMZUQH-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC3=CC=CC=C32)CC(O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
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 53 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29334900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydrobenzo[h]quinolin-3-ol is a biological material or organic compound that can be used in life science research[1].
Suppliers75 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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