Basic information
- CAS
40771-26-4- Standard SMILES
Oc1cccc2c1CCCC2O- InChIKey
MYIDTCFDQGAVFL-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydronaphthalene-1,5-diol
- IUPAC
- 1,2,3,4-tetrahydronaphthalene-1,5-diol
- English name
- 1,2,3,4-Tetrahydro-1,5-naphthalenediol
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
40771-26-41,2,3,4-Tetrahydronaphthalene-1,5-diol1,5-Dihydroxy-1,2,3,4-tetrahydronaphthaleneEINECS 255-070-7DTXSID501264315NSC 96982RefChem:410588DTXCID70835866255-070-71,5-Dihydroxytetralin1,2,3,4-Tetrahydro-1,5-naphthalenediol1,5-Naphthalenediol, 1,2,3,4-tetrahydro-
Show more names
(1S)-1,2,3,4-tetrahydronaphthalene-1,5-diol1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene1,5-DIHYDROXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE 95%1,5-DIHYDROXY-1,2,3,4-TETRAHYDRO-NAPHTHA LENE, TECH.1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene,95%,tech.
MFCD00001735ZWK9XA2NDXNSC-96982NSC96982tetralin-1,5-diolUNII-ZWK9XA2NDXSCHEMBL454127orb2946009
Database identifiers
- CAS
40771-26-4- PubChem CID
- 98286
- DTXSID
DTXSID501264315- UNII
- ZWK9XA2NDX
- EC Number
- 255-070-7
- Nikkaji
- J294.752H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 132 · 132-134 °C (lit.)
- Boiling point
- 251.67 °C · 251.67°C (rough estimate)
- Density
- 1.0326 · 1.0326 (rough estimate)
- refractive index
- 1.518 · 1.5180 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 10.4 · 10.40±0.40(Predicted)
- form
- solid
- color
- White to light yellow
- InChI
- 1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10-12H,2,4,6H2
- InChIKey
- MYIDTCFDQGAVFL-UHFFFAOYSA-N
- SMILES
- OC1CCCc2c(O)cccc12
- FDA UNII
- 9 XA2NDX · ZWK9XA2NDX
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 40 reports by companies from 3 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
Uses1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene was used in the synthesis of 1,5-bis(4-aminobenzoate)-1,2,3,4-tetrahydronapthalene(4-DABTN) and 1,5-bis(3-aminobenzoate)-1,2,3,4-tetrahydronapthalene (5-DABTN).
General Description1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene is a complexing agent and forms complexes with cephradine. It reacts with 4- or 3-nitrobenzoyl chloride to yield 4-DABTN and 3-DABTN .
Upstream & downstream products
Downstream products
Suppliers39 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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