CAS 135631-91-3 6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline (HCID 10823932)

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Basic information

CAS: 135631-91-3
Standard SMILES: CC1(C)CCNc2ccc(Br)cc21
InChIKey: WBOOAXJWGJAIMB-UHFFFAOYSA-N
Molecular formula: C11H14BrN
Average molar mass: 240.14 g/mol
Monoisotopic mass: 239.03096

Names & identifiers

Preferred name: 6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline
IUPAC: 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
English name: 6-bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline hydrochloride
Molecular formula: C11H14BrN
Molecular weight: 240.14

Names & synonyms

135631-91-36-bromo-1,2,3,4-tetrahydro-4,4-dimethylQuinolineRefChem:3072876-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline6-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline6-BROMO-4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINEMFCD09701997Quinoline, 6-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-SCHEMBL1396642WBOOAXJWGJAIMB-UHFFFAOYSA-NAKOS024028374SB33002

Show more names

6-broMo-14-tetrahydro-4CAS:135631-91-34-diMethylquinoline hydrochloride6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline, HCl6-BroMo-1,2,3,4-tetrahydro-4,4-diMethyl-quinoline HCl6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline,hydrochloride

SY033774CS-02792986-Bromo-44-dimethyl-23-dihydro-1H-quinolineEN300-739656F16236F6868684,4-Dimethyl-6-bromo-1,2,3,4-tetrahydroquinoline6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline hydrochloride

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 304.9 · 304.9±41.0 °C(Predicted)
Density: 1.284 · 1.284±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
pka: 4.33 · 4.33±0.40(Predicted)
Appearance: Yellow to brown Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P