CAS 34810-13-4 9-Anthramide (HCID 169640)

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Basic information

CAS: 34810-13-4
Standard SMILES: NC(=O)c1c2ccccc2cc2ccccc12
InChIKey: QHWJYCGQHFPQCA-UHFFFAOYSA-N
Molecular formula: C15H11NO
Average molar mass: 221.25 g/mol
Monoisotopic mass: 221.08406397

Names & identifiers

Preferred name: 9-Anthramide
IUPAC: anthracene-9-carboxamide
English name: 9-Anthraldehyde oxime
Molecular formula: C15H11NO
Molecular weight: 221.25

Names & synonyms

9-AnthramideRefChem:10775634810-13-49-Anthracenecarboxamideanthracene-9-carboxamideBIDD:GT0512SCHEMBL2891981SCHEMBL5747507SCHEMBL5748330SCHEMBL5749296SCHEMBL5749357SCHEMBL5750475

Show more names

9-AnthramidAKOS B0040319-ANTHRALDOXIME9-Anthraldehyde oxim9-ANTHRALDEHYDE OXIME(E)-anthracene-9-carbaldehyde oxime9-Anthraldehyde oxime, predominantly syn9-Anthraldehyde oxime, predominantly syn 99%

SCHEMBL5750645DTXSID10956286Anthracene-9-carboxylic acid amide

Database identifiers

CAS: 34810-13-4
PubChem CID: 169640
DTXSID: DTXSID10956286
Nikkaji: J88.966K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 279

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP2.23

Physicochemical properties

Melting point: 162 · 162-164 °C(lit.)
Boiling point: 497.178 · 497.178±14.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.255 · 1.255±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 16 · 16.000±0.30(predicted)
InChI: 1S/C15H11NO/c17-16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10,17H/b16-10+
InChIKey: HLGMTCSSRBPNOQ-MHWRWJLKSA-N
SMILES: O\N=C\c1c2ccccc2cc3ccccc13
CAS DataBase Reference: 34810 · 34810-13-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
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

Applications

Uses9-Anthraldehyde oxime was used in preparation of new triosmium cluster [Os3(CO)11(C14H9CN)].

General DescriptionGallium triflate catalyzed dehydration of 9-anthraldehyde oxime to nitrile is reported.

Suppliers35 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Syntechem Co.,Ltd[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]

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