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tert-butyl N-(4-isothiocyanatophenyl)carbamate

Also known as: N-Boc-4-isothiocyanatoaniline, tert-butyl (4-isothiocyanatophenyl)carbamate, (4-isothiocyanato-phenyl)-carbamic acid tert-butyl ester, 4-[(1,1-dimethylethoxycarbonyl)amino]phenyl isothiocyanate, Carbamic acid, N-(4-isothiocyanatophenyl)-, 1,1-dimethylethyl ester, BOC-4-ISOTHIOCYANATOANILINE, MFCD01862957, N-BOC-4-ISOTHIOCYANATOANILINE

tert-butyl N-(4-isothiocyanatophenyl)carbamate (CAS 89631-75-4) is a compound in the Organic Bases category listed in the Jingsj chemical database. It has the molecular formula C12H14N2O2S and a molecular weight of 250.31700 g/mol. Key properties include a melting point of 109-114ºC, a boiling point of 329.2ºC at 760 mmHg, a density of 1.12g/cm3 and a flash point of 152.9ºC. It is classified under GHS with signal word Danger and hazard statements H317 — May cause an allergic skin reaction and H334 — May cause allergy or asthma symptoms if inhaled. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
89631-75-4
Jingsj CID
J-46478-8
Molecular Formula
C12H14N2O2S
Molecular Weight
250.31700 g/mol
Category
Organic Bases
Last updated
8/21/2026
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Physicochemical Properties

Melting Point109-114ºC
Boiling Point329.2ºC at 760 mmHg
Density1.12g/cm3
Flash Point152.9ºC
Exact Mass250.07800
PSA82.78000
LogP3.84090
Refractive Index1.552

GHS Safety & Compliance

Health HazardSignal word: Danger
  • H317 — May cause an allergic skin reaction
  • H334 — May cause allergy or asthma symptoms if inhaled

Customs & Trade Information

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Frequently Asked Questions

What is the CAS number of tert-butyl N-(4-isothiocyanatophenyl)carbamate?

The CAS number of tert-butyl N-(4-isothiocyanatophenyl)carbamate is 89631-75-4.

What are the molecular formula and molecular weight of tert-butyl N-(4-isothiocyanatophenyl)carbamate?

tert-butyl N-(4-isothiocyanatophenyl)carbamate has molecular formula C12H14N2O2S and molecular weight 250.31700 g/mol.

Is tert-butyl N-(4-isothiocyanatophenyl)carbamate hazardous?

tert-butyl N-(4-isothiocyanatophenyl)carbamate has GHS signal word Danger and hazard statements H317 — May cause an allergic skin reaction; H334 — May cause allergy or asthma symptoms if inhaled.

What are the upstream and downstream products of tert-butyl N-(4-isothiocyanatophenyl)carbamate?

For tert-butyl N-(4-isothiocyanatophenyl)carbamate, Upstream Products: Thiophosgene, tert-Butyl (4-aminophenyl)carbamate.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "tert-butyl N-(4-isothiocyanatophenyl)carbamate (CAS 89631-75-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-46478-8 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.