Isatoic anhydride
Names
[ CAS No. ]:
118-48-9
[ Name ]:
Isatoic anhydride
[Synonym ]:
2H-3,1-Benzoxazine-2,4(1H)-dione
Anthranilic acid N-carboxylic acid anhydride
Isatoic anhydride
3,1-Benzoxazine-2,4(1H)-dione
1H-3,1-benzoxazine-2,4-dione
1H-Benzo[d][1,3]oxazine-2,4-dione
Isatoic acid anhydride
T66 BMVOVJ
Benzoic acid, 2-(carboxyamino)-, cyclic anhydride
Benzoxazinedione
Anthranilic acid, N-carboxy-, cyclic anhydride
MFCD00006700
EINECS 204-255-0
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Melting Point ]:
233 °C (dec.)(lit.)
[ Molecular Formula ]:
C8H5NO3
[ Molecular Weight ]:
163.130
[ Flash Point ]:
308 °C
[ Exact Mass ]:
163.026947
[ PSA ]:
63.07000
[ LogP ]:
0.90
[ Vapour density ]:
5.6 (vs air)
[ Index of Refraction ]:
1.586
[ Water Solubility ]:
decomposes
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DM3100000
- CHEMICAL NAME :
- 2H-3,1-Benzoxazine-2,4(1H)-dione
- CAS REGISTRY NUMBER :
- 118-48-9
- BEILSTEIN REFERENCE NO. :
- 0136786
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H5-N-O3
- MOLECULAR WEIGHT :
- 163.14
- WISWESSER LINE NOTATION :
- T66 BMVOVJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 34800 mg/kg
- SEX/DURATION :
- male 8 day(s) pre-mating female 21 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H317-H319
[ Precautionary Statements ]:
P280-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36;R43
[ Safety Phrases ]:
S24-S26-S37
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
1
[ RTECS ]:
DM3100000
[ HS Code ]:
2934999090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2934999090
[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
ChemBioChem. 3(1) , 68-75, (2002)
The acyl-enzyme formed upon acylation of alpha-chymotrypsin with isatoic anhydride has been characterised by infrared spectroscopy. Acylation at pH 7 to yield the 2-aminobenzoyl-enzyme is rapid (k = 5...
Palladium-catalyzed decarboxylative coupling of isatoic anhydrides with arylboronic acids.Org. Lett. 13 , 6114-6117, (2011)
The decarboxylative coupling of isatoic anhydrides with arylboronic acids was realized for the first time in the presence of Pd(2)(dba)(3) and DPEphos, achieving aryl o-aminobenzoates with yields rang...
1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones.Org. Lett. 13(3) , 486-9, (2011)
A nonstabilized azomethine ylide reacts with a wide range of substituted isatoic anhydrides to afford novel 1,3-benzodiazepin-5-one derivatives, which are generally isolated in high yield. The transfo...