CAS 6638-60-4 2-Amino-7-bromofluorene (HCID 23126)

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Basic information

CAS: 6638-60-4
Standard SMILES: Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIKey: RJWYTISHBMNMOZ-UHFFFAOYSA-N
Molecular formula: C13H10BrN
Average molar mass: 260.13 g/mol
Monoisotopic mass: 258.99966

Names & identifiers

Preferred name: 2-Amino-7-bromofluorene
IUPAC: 7-bromo-9H-fluoren-2-amine
English name: 2-Amino-7-bromofluorene
Molecular formula: C13H10BrN
Molecular weight: 260.13

Names & synonyms

2-Amino-7-bromofluorene6638-60-42-Bromo-7-aminofluoreneFLUOREN-2-AMINE, 7-BROMO-A38TF5YTF47-Bromo-9H-fluoren-2-ylamineNSC 48265BRN 2805053NSC-48265DTXSID202166012Amino7bromofluoreneFluoren2amine, 7bromo

Show more names

2-Amino-7-Bromofluor7-bromo-fluoren-2-amin7-AMINO-2-BROMOFLUORENE2-AMINO-7-BROMOFLUOROENE2-Bromo-7-amino-9H-fluorene2-Amino-7-bromo-9H-fluorene2-AMino-7-broMofluorene 90%

RefChem:85335DTXCID10139092625-606-84-12-00-03384 (Beilstein Handbook Reference)RJWYTISHBMNMOZ-UHFFFAOYSA-N7-Bromo-9H-fluoren-2-amineMFCD00001127UNII-A38TF5YTF4

Database identifiers

CAS: 6638-60-4
PubChem CID: 23126
DTXSID: DTXSID20216601
UNII: A38TF5YTF4
EC Number: 625-606-8
Nikkaji: J308.964I

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 243

Experimental & physicochemical properties

Vapor Pressure0.00000277 [mmHg]

Physical DescriptionMelting point = 148-149 deg C; [Aldrich MSDS]

Physicochemical properties

Melting point: 148 · 148-149 °C (lit.)
Boiling point: 431.9 · 431.9±38.0 °C(Predicted)
Density: 1.559 · 1.559±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 3.9 · 3.90±0.20(Predicted)
form: powder
Appearance: Off-white to light yellow Solid
Water Solubility: Sparingly soluble in water. (0.724 mg/L)
InChI: InChI=1S/C13H10BrN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2
InChIKey: RJWYTISHBMNMOZ-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC(Br)=C2)C2=C1C=C(N)C=C2

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryAn irritant; [Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: LL5150050
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications · 2 items

UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

General DescriptionSpectral characteristics of inclusion complexation of 2-amino-7-bromofluorene in aqueous β-cyclodextrin solution were evaluated. Fluorescence quenching of 2-amino-7-bromofluorene by chloromethanes (CH2Cl2, CHCl3, CCl4) in various solvents was studied.