3,5-Dihydroxybenzamide

HCID 76604CAS 3147-62-4
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1cc(O)cc(O)c1
InChIKey
PLYYMFBDRBSPJZ-UHFFFAOYSA-N
Molecular formula
C7H7NO3
Average molar mass
153.14 g/mol
Monoisotopic mass
153.04259308

Names & identifiers

Preferred name
3,5-Dihydroxybenzamide
IUPAC
3,5-dihydroxybenzamide
English name
3,5-Dihydroxybenzamide
Molecular formula
C7H7NO3
Molecular weight
153.14

Names & synonyms

3,5-DihydroxybenzamideBenzamide, 3,5-dihydroxy-3,5-Dihydroxybenzoic acid amideHF3CAA58OWEINECS 221-571-4UNII-HF3CAA58OWNSC 60729NSC-60729DTXSID2062870RefChem:91544DTXCID1038371PLYYMFBDRBSPJZ-UHFFFAOYSA-N
Show more names
2-hydroxy-3-mercaptopropanoic acidA-RESORCYL AMIDE3,5-dihydroxy-benzamid3,5-Dihydroxy Benzomide3,5-Dihydroxybenzamide>3,5-Dihydroxybenzamide-97%3,5-Dihydroxybenzamide, ≥ 98.0%
3147-62-43,5-Resorcylic acidamide.alpha.-ResorcylamideMFCD000171233,5-Dihydroxy-benzamidealpha-ResorcylamideNSC60729SCHEMBL441865

Database identifiers

CAS
3147-62-4
PubChem CID
76604
DTXSID
DTXSID2062870
ChEMBL
CHEMBL4293459
UNII
HF3CAA58OW
EC Number
221-571-4
Nikkaji
J217.301H

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
83.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
270 °C · 270°C (dec.)
Boiling point
452.4 · 452.4±15.0 °C(Predicted)
Density
1.458 · 1.458±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal
pka
8.75 · 8.75±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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 CategoriesAcute Tox. 4 (88.6%)

Safety data

tsca
TSCA listed
hs_code
29242990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39-37

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 3,5-dihydroxy-: INACTIVE

Suppliers50 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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