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tert-butyl 7-fluoro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

tert-butyl 7-fluoro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate structure

CAS No:
886364-36-9
Formula:
C14H19FN2O2
Chemical Name:
tert-butyl 7-fluoro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
Synonyms:
4-Boc-7-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine; tert-butyl 7-fluoro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate;

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tert-butyl 7-fluoro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Basic Attributes

Molecular Weight：

266.31100

Exact Mass：

266.14305602

DSSTox ID：

DTXSID70649622

HScode：

2933990090

Characteristics

PSA：

41.57000

XLogP3：

3.06420

Density：

1.145g/cm3

Boiling Point：

378.1ºC at 760 mmHg

Flash Point：

182.5ºC

Refractive Index：

1.515

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:266.31
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:266.14305602
Monoisotopic Mass:266.14305602
Topological Polar Surface Area:41.6
Heavy Atom Count:19
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl 7-fluoro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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