Benzoic acid, 4-(diethylamino)-

HCID 79480
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5429-28-7
Standard SMILES
CCN(CC)c1ccc(C(=O)O)cc1
InChIKey
LNYTUARMNSFFBE-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Names & identifiers

Preferred name
Benzoic acid, 4-(diethylamino)-
IUPAC
4-(diethylamino)benzoic acid
English name
4-Diethylaminobenzoic acid
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

4-(Diethylamino)benzoic acid5429-28-7Benzoic acid, 4-(diethylamino)-p-(Diethylamino)benzoic acidNSC 14115EINECS 226-582-8DTXSID9063877RefChem:565918DTXCID8041666226-582-84-Diethylaminobenzoic AcidMFCD00002538
Show more names
AKOS BBS-00003738RARECHEM AL BO 2370LABOTEST-BB LT008481914-(diethylamino)-benzoicaci4-Carboxy-N,N-diethylaniline4-DiethylaminobenzoicAcid>
4-N,N-Diethylaminobenzoic acidNSC-14115p-Diethylaminobenzoic aciddiethylaminobenzoic acid4-(diethylamino)benzoicChemDiv3_0141934-diethylamino benzoic acid4-diethylamino-benzoic acid

Database identifiers

CAS
5429-28-7
PubChem CID
79480
DTXSID
DTXSID9063877
ChEMBL
CHEMBL1535775
UNII
G7YGH249XU
EC Number
226-582-8
Nikkaji
J81.027D

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
192 · 192-193 °C(lit.)
Boiling point
329.46 °C · 329.46°C (rough estimate)
Density
1.117 · 1.117
refractive index
1.5041 · 1.5041 (estimate)
Flash point
175 °C · 175°C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 4-(diethylamino)-

Benzoic acid, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzoic acid, 4-(diethylamino)-

Benzoic acid, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29224999
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 4-(diethylamino)-: ACTIVE

Applications

Uses4-(Diethylamino)benzoic acid is used as a reactant in the preparation of amides by acylation of amines using (acyl)benzotriazoles.

Upstream & downstream products

Suppliers69 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

Loading…