Diethylsalicylamide

HCID 88006

Notes Reactions

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Basic information

CAS: 19311-91-2
Standard SMILES: CCN(CC)C(=O)c1ccccc1O
InChIKey: ZVYXEXAXXWINEH-UHFFFAOYSA-N
Molecular formula: C11H15NO2
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.11027872

Names & identifiers

Preferred name: Diethylsalicylamide
IUPAC: N,N-diethyl-2-hydroxybenzamide
English name: N,N-Diethylsalicylamide
Molecular formula: C11H15NO2
Molecular weight: 193.24

Names & synonyms

N,N-DiethylsalicylamideN,N-Diethyl-2-hydroxybenzamidediethylsalicylamide2-hydroxy-N,N-diethylbenzamideBRN 2835473AI3-33468UNII-HG05MO88TLEINECS 242-955-8HG05MO88TLDTXSID20172915DIETHYLSALICYLAMIDE [MART.]4-10-00-00170 (Beilstein Handbook Reference)

Show more names

n,n-diethyl-salicylamid

DIETHYLSALICYLAMIDE (MART.)RefChem:133524DTXCID1095406ZVYXEXAXXWINEH-UHFFFAOYSA-N19311-91-2Benzamide, N,N-diethyl-2-hydroxy-SalicyldiethylamideSalicylamide, N,N-diethyl-

Database identifiers

CAS: 19311-91-2
PubChem CID: 88006
DTXSID: DTXSID20172915
UNII: HG05MO88TL
EC Number: 242-955-8
Nikkaji: J48.300A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 93 · 93-97 °C (lit.)
Boiling point: 340 ℃ · 340℃
Density: 1.096 · 1.096
refractive index: 1.508 · 1.5080 (estimate)
Flash point: 159 ℃ · 159℃
storage temp.: Sealed in dry,Room Temperature
pka: 8.73 · 8.73±0.30(Predicted)
form: Crystalline Powder
color: White to tan
InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3
InChIKey: ZVYXEXAXXWINEH-UHFFFAOYSA-N
SMILES: C(N(CC)CC)(=O)C1=CC=CC=C1O
EWG's Food Scores: 1 · 1
FDA UNII: 5 MO88TL · HG05MO88TL
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312+P330-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 7320000 · VN7320000
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 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 CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: VN7320000
hs_code: 2924297099
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312+P330-P501

Chemistry & industry

Applications

UsesN,N-Diethylsalicylamide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.