Benzoic acid, o-(morpholinocarbonyl)-

HCID 52295CAS 73728-40-2
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Basic information

Standard SMILES
O=C(O)c1ccccc1C(=O)N1CCOCC1
InChIKey
QXNQMHHGQWNYFY-UHFFFAOYSA-N
Molecular formula
C12H13NO4
Average molar mass
235.24 g/mol
Monoisotopic mass
235.0844579

Names & identifiers

Preferred name
Benzoic acid, o-(morpholinocarbonyl)-
IUPAC
2-(morpholine-4-carbonyl)benzoic acid
English name
2-(Morpholine-4-carbonyl)-benzoic acid
Molecular formula
C12H13NO4
Molecular weight
235.24

Names & synonyms

73728-40-2BENZOIC ACID, o-(MORPHOLINOCARBONYL)-DTXSID10224038RefChem:1079220DTXCID101465292-(Morpholine-4-carbonyl)benzoic acid2-(Morpholine-4-carbonyl)-benzoic acid2-(4-morpholinylcarbonyl)benzoic acido-(Morpholinocarbonyl)benzoic acidBenzoic acid, 2-(4-morpholinylcarbonyl)-2-(morpholin-4-ylcarbonyl)benzoic acidMFCD00443953
Show more names
TIMTEC-BB SBB003251Phthalic acid monomorpholineo-(morpholinocarbonyl)-benzoicaci2-(morpholine-4-carbonyl)benzoicaci2-(Morpholine-4-carbonyl)-benzoic acid ,97%
WLN: T6N DOTJ AVR BVQNSC175192NSC-175192NSC 175192BRN 09890762-(Morpholine-4-carbonyl)benzoicacidOprea1_546159Oprea1_588811

Database identifiers

CAS
73728-40-2
PubChem CID
52295
DTXSID
DTXSID10224038
EC Number
673-398-2
Nikkaji
J83.471H

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
464.7 · 464.7±40.0 °C(Predicted)
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.41 · 3.41±0.36(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
29339900
risk_code
22-33-37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-45-7/8-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers34 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]

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