CAS 1210-33-9 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro- (HCID 14587)

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-
IUPAC: 2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
English name: Dibenzosuberyl chloride
Molecular formula: C15H13Cl
Molecular weight: 228.72

Names & synonyms

5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cyclohepteneEINECS 214-910-2BRN 0612280NSC 861545H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CHLORO-5-Chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene4-05-00-02198 (Beilstein Handbook Reference)DTXSID20153103RefChem:538278DTXCID80755945H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro-(8CI)5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro-(8CI)(9CI)

Show more names

5-CHLOROBENZOSUBERANE5-DibenzosuberylChlorideDibenzosuberylChloride>5-Chlorodibenzosuberane 96%5-Chloro-2,3:6,7-dibenzosuberaned)cycloheptene,10,11-dihydro-5-chloro-5h-dibenzo(10,11-Dihydro-5-chloro-5H-dibenzo[a,d]cycloheptene

214-910-21210-33-9Dibenzosuberyl chloride5-Chlorodibenzosuberane5-chloro-10,11-dihydro-5H-dibenzo[a,d][7]annuleneMFCD000035925H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

Database identifiers

CAS: 1210-33-9
PubChem CID: 14587
DTXSID: DTXSID20153103
EC Number: 214-910-2
Nikkaji: J1.763I

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 106 · 106-107 °C (lit.)
Boiling point: 321.7 · 321.7±31.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
color: Off-White to Pale Beige
Sensitive: Moisture Sensitive
BRN: 612280 · 612280
Stability: Light Sensitive
InChI: InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C(Cl)C1=CC=CC=C1CC2
CAS DataBase Reference: 1210 · 1210-33-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Warning
Hazard statements: 315 · H315-H319-H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
WGK Germany: 3 · 3
RTECS: 8302000 · HO8302000
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29039930 · 29039930
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: HO8302000
ridadr: 3261
hs_code: 29039930
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07,GHS05
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H315-H319-H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 2 items

UsesReagent for introduction of the 5-dibenzosuberyl moiety as a modulator for anticancer drugs.1

UsesDibenzosuberyl Chloride is used in the synthesis of atypical tricyclic antidepressant as well as dibenzosuberyl-substituted tropines as ligands for acetylcholine-binding protein. Dibenzosuberyl Chloride is also used in the preparation of amino protecting group for solid phase peptide synthesis.