CAS 115198-80-6 tert-Butyl N-(2-oxiranylmethyl)carbamate (HCID 11062891)

Names & identifiers

Preferred name: tert-Butyl N-(2-oxiranylmethyl)carbamate
IUPAC: tert-butyl N-(oxiran-2-ylmethyl)carbamate
English name: TERT-BUTYL N-(2-OXIRANYLMETHYL)CARBAMATE
Molecular formula: C8H15NO3
Molecular weight: 173.21

Names & synonyms

115198-80-6tert-Butyl N-(2-oxiranylmethyl)carbamateRefChem:895761624-784-4Tert-butyl N-(oxiran-2-ylmethyl)carbamatetert-Butyl (oxiran-2-ylmethyl)carbamateMFCD05664375Carbamic acid, N-(2-oxiranylmethyl)-, 1,1-dimethylethyl estertert-Butyl (2-oxiranylmethyl)carbamatetert-butyl N-[(oxiran-2-yl)methyl]carbamateN-Boc-1-(oxiran-2-yl)methanaminetert-butyl 2-oxiranylmethylcarbamate

Show more names

tert-Butyl N-(2-oxiranylMethyl)carbaMate 97%Carbamic acid,N-(2-oxiranylmethyl)-, 1,1-dimethylethyl ester

(S)-1-(tert-Butoxycarbonyl)-2,3-oxiranylaminestarbld0016686SCHEMBL5904062-[(Boc-amino)methyl]-oxiraneCarbamic acid, (oxiranylmethyl)-, 1,1-dimethylethyl esterZBBGKXNNTNBRBH-UHFFFAOYSA-NN-BOC-amino-methyl-ethyl-eneoxideCarbamic acid, (oxiranylmethyl)-, 1,1-dimethylethyl ester (9CI)

Database identifiers

CAS: 115198-80-6
PubChem CID: 11062891
EC Number: 624-784-4
Nikkaji: J1.682.249C

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 48 °C · 48 °C
Boiling point: 262.9 · 262.9±13.0 °C(Predicted)
Density: 1.041 g/mL · 1.041 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4500(lit.)
Flash point: 230 °F · >230 °F
pka: 12.45 · 12.45±0.46(Predicted)
InChI: 1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey: ZBBGKXNNTNBRBH-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCC1CO1
CAS DataBase Reference: 115198 · 115198-80-6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.