1,2,3,4-Tetrahydro-1-naphthoic acid (HCID 12598146)

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-1-naphthoic acid
IUPAC: 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
English name: 1,2,3,4-Tetrahydro-1-naphthoic acid
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

1,2,3,4-Tetrahydro-1-naphthoic acidRefChem:410515641-736-81914-65-41,2,3,4-tetrahydronaphthalene-1-carboxylic acid1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-Tetralin-1-carboxylic Acid1,2,3,4-Tetrahydro-naphthalene-1-carboxylic acidMFCD02179127CHEMBL816061,2,3,4-tetrahydro-1-naphthalenecarboxylic acid1,2,3,4-Tetrahedro-naphthoic acid

Show more names

Afobazole Impurity 41-Tetralincarboxylic acidPalonosetron interMediater A4-Tetrahydro-1-naphthoic acid1,2,3,4-TETRAHYDRO-1-NAPHTHOIC1,2,3,4-tetrahydro-naphthoic acid1,2,3,4-Tetrahydro-1-phthoic acid1,2,3,4-Tetrahydro-1-naphthoic ac

1,2,3,4-tetrahydronaphthalenecarboxylic acid(S)-1,2,3,4-Tetrahydronaphthoic acid1,2,3,4-Tetrahedronaphthoic acidtetrahydronaphthoic acidSCHEMBL242244F2191-0014SCHEMBL1567657SCHEMBL2122282

Database identifiers

CAS: 1914-65-4
PubChem CID: 12598146
DTXSID: DTXSID80940758
ChEMBL: CHEMBL81606
EC Number: 641-736-8
Nikkaji: J60.090C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 75 · 75-77°C
Boiling point: 135 °C/5mmHg · 135°C/5mmHg(lit.)
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in methanol, and chloroform.
pka: 4.28 · 4.28±0.20(Predicted)
form: Solid
color: White to Off-White
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)
InChIKey: VDLWTJCSPSUGOA-UHFFFAOYSA-N
SMILES: C1(C(O)=O)C2=C(C=CC=C2)CCC1
CAS DataBase Reference: 1914 · 1914-65-4(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,2,3,4-Tetrahydro-1-naphthoic acid (1914-65-4)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 22 · 22-36-51
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
HS Code: 2916399090 · 2916399090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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 7 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 (85.7%)

Safety data

wgk: WGK 3
hs_code: 2916399090
risk_code: 22-36-51
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses1,2,3,4-Tetrahydro-1-naphthoic acid is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is a reagent used to produce protease inhibitors.

Uses1,2,3,4-Tetrahydro-1-naphthoic acid is a reagent used to produce protease inhibitors.