Acridan

HCID 7106

Notes Reactions

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Basic information

CAS: 92-81-9
Standard SMILES: c1ccc2c(c1)Cc1ccccc1N2
InChIKey: HJCUTNIGJHJGCF-UHFFFAOYSA-N
Molecular formula: C13H11N
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.08914935

Names & identifiers

Preferred name: Acridan
IUPAC: 9,10-dihydroacridine
English name: CARBAZINE
Molecular formula: C13H11N
Molecular weight: 181.23

Names & synonyms

9,10-Dihydroacridine92-81-9ACRIDANITV7RA4Y9PRefChem:109387202-192-3CarbazineAcridine, 9,10-dihydro-Acridane9,10-Dihydro-acridineEINECS 202-192-3MFCD00022256

Show more names

CarrazineNSC 41239AI3-09022ms-Dihydroacridine9 10-DIHYDROACRIDINE9,10-dihydro-acridinBedaquiline Impurity 97

UNII-ITV7RA4Y9P9,10-Dihydroacridine #CHEMBL304205DTXSID4073887BDBM50012868NSC-41239SY056562D5058

Database identifiers

CAS: 92-81-9
PubChem CID: 7106
DTXSID: DTXSID4073887
ChEMBL: CHEMBL304205
UNII: ITV7RA4Y9P
EC Number: 202-192-3
Nikkaji: J4.661B

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point: 168 to · 168.0 to 172.0 °C
Boiling point: 348 °C · 348°C(lit.)
Density: 1.0941 · 1.0941 (rough estimate)
refractive index: 1.6118 · 1.6118 (estimate)
storage temp.: Store at room temperature
pka: 1.98 · 1.98±0.20(Predicted)
form: powder to crystal
color: White to Amber
λmax: 280 nm · 280nm(lit.)
InChI: 1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2
InChIKey: HJCUTNIGJHJGCF-UHFFFAOYSA-N
SMILES: C1c2ccccc2Nc3ccccc13
EWG's Food Scores: 1 · 1
FDA UNII: 7 RA4Y9P · ITV7RA4Y9P
EPA Substance Registry System: 9 · Acridine, 9,10-dihydro- (92-81-9)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 53 · 53
WGK Germany: 3 · WGK 3
RTECS: 6950000 · AR6950000
HS Code: 2933.99 · 2933.99.8290
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: WGK 3
rtecs: AR6950000
hs_code: 2933.99.8290
risk_code: 53
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P