CAS 154150-18-2 tert-butyl N-(2-methoxyphenyl)carbamate (HCID 4935494)

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Basic information

CAS: 154150-18-2
Standard SMILES: COc1ccccc1NC(=O)OC(C)(C)C
InChIKey: DHSWMVURURVRDB-UHFFFAOYSA-N
Molecular formula: C12H17NO3
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.1208434

Names & identifiers

Preferred name: tert-butyl N-(2-methoxyphenyl)carbamate
IUPAC: tert-butyl N-(2-methoxyphenyl)carbamate
English name: (2-METHOXYPHENYL)-CARBAMIC ACID, 1,1-DIMETHYL ETHYL ESTER
Molecular formula: C12H17NO3
Molecular weight: 223.27

Names & synonyms

tert-butyl N-(2-methoxyphenyl)carbamateRefChem:895735939-170-4154150-18-2tert-Butyl (2-methoxyphenyl)carbamateN-BOC-2-METHOXYANILINEMFCD07127728Tert-butyl 2-methoxyphenylcarbamate(2-METHOXYPHENYL)-CARBAMIC ACID, 1,1-DIMETHYL ETHYL ESTER2-Methoxyaniline, N-BOC protectedtert-Butyl(2-methoxyphenyl)carbamateSCHEMBL729221

Show more names

Boc-o-anisidine2-methoxyphenylcarbamateN-Boc-2-methoxyaniline 97%1-(Boc-amino)-2-methoxybenzeneN -(2-Methoxyphenyl)carbamic acid tert-butyl ester

SCHEMBL3337602N-Boc-2-methoxyaniline, 97%SCHEMBL27685678SCHEMBL29991357DTXSID90406855DHSWMVURURVRDB-UHFFFAOYSA-NEGA15018AKOS003581112

Database identifiers

CAS: 154150-18-2
PubChem CID: 4935494
DTXSID: DTXSID90406855
EC Number: 803-043-0、939-170-4

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 33.5 · 33.5-35.0°C
Flash point: 110 ℃ · >110℃
storage temp.: Sealed in dry,Room Temperature
form: powder
Appearance: 35 °C · White to off-white 35.0°C Liquid
InChI: 1S/C12H17NO3/c1-12(2,3)16-11(14)13-9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKey: DHSWMVURURVRDB-UHFFFAOYSA-N
SMILES: COc1ccccc1NC(=O)OC(C)(C)C
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
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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