CAS 10328-92-4 N-Methylisatoic anhydride (HCID 25160)

Overview

N-methylisatoic anhydride is a 3,1-benzoxazin-1,4-dione having an N-methyl substituent.

Names & identifiers

Preferred name: N-Methylisatoic anhydride
IUPAC: 1-methyl-3,1-benzoxazine-2,4-dione
English name: N-methylisatoic anhydride
Molecular formula: C9H7NO3
Molecular weight: 177.16

Names & synonyms

N-Methylisatoic anhydride10328-92-4N-Methyl IA1-Methyl-2H-3,1-benzoxazine-2,4(1H)-dione2H-3,1-BENZOXAZINE-2,4(1H)-DIONE, 1-METHYL-7SWE4B4CY2NSC-76087DTXSID8065036CHEBI:59054RefChem:163844DTXCID9032793233-714-8

Show more names

MIANSC439NSC 439NSC-439AKOS 226AI300638NSC 76087MIA human4-dithiinAI3 00638

1-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione1-methyl-3,1-benzoxazine-2,4-dioneMFCD00006815N-Methyl-N-carboxyanthranilic anhydrideN-methylisatoic acid anhydrideMLS002693972NSC76087Methyl-N-carboxyanthranilic anhydride

Database identifiers

CAS: 10328-92-4
PubChem CID: 25160
DTXSID: DTXSID8065036
ChEMBL: CHEMBL1903371
ChEBI: CHEBI:59054
UNII: 7SWE4B4CY2
EC Number: 233-714-8
Nikkaji: J67.822H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 251

Physicochemical properties

Melting point: 165 °C · 165 °C (dec.)(lit.)
Boiling point: 309.06 °C · 309.06°C (rough estimate)
Density: 1.3312 · 1.3312 (rough estimate)
vapor density: 6.1 · 6.1 (vs air)
refractive index: 1.52 · 1.5200 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in DMSO
form: Solid
pka: -2.24 · -2.24±0.20(Predicted)
color: White to yellow
Sensitive: Moisture Sensitive
InChI: InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
InChIKey: KJMRWDHBVCNLTQ-UHFFFAOYSA-N
SMILES: N1(C)C2=CC=CC=C2C(=O)OC1=O
CAS DataBase Reference: 10328 · 10328-92-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 SWE4B4CY2 · 7SWE4B4CY2
EPA Substance Registry System: 2 H-3,1-Benzoxazine-2,4 · 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl- (10328-92-4)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 3140000 · DM3140000
TSCA: TSCA listed
HS Code: 2934.99 · 2934.99.4400
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: DM3140000
hs_code: 2934.99.4400
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-: INACTIVE

Applications · 2 items

UsesN-Methylisatoic anhydride is a 2'-OH selective acylation agent of RNAs, and is widely used for resolving secondary RNA structures using the SHAPE (Selective 2'-Hydroxyl Acylation Analyzed by Primer Extension) technology.

DescriptionMelanoma Inhibitory Activity Human Recombinant produced in E.Coli is a single, non-glycosylated, polypeptide chain consisting of 108 amino having a total molecular mass of 12237 Dalton.The MIA is purified by proprietary chromatographic techniques.