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tert-Butyl 3-isothiocyanatobenzoate

Also known as: 3-(tert-Butoxycarbonyl)phenyl isothiocyanate, 3-isothiocyanato-benzoic acid tert-butyl ester, Benzoic acid, 3-isothiocyanato-, 1,1-dimethylethyl ester, TERT-BUTYL 3-ISOTHIOCYANATOBENZOATE, t-butyl-3-isothiocyanato-benzoate, tert-butyl 3-isothiocyanatobenzoate

tert-Butyl 3-isothiocyanatobenzoate (CAS 486415-53-6) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C12H13NO2S and a molecular weight of 235.30200 g/mol. It is classified under GHS with signal word Danger and hazard statements H302 — Harmful if swallowed, H312 — Harmful in contact with skin and H317 — May cause an allergic skin reaction. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
486415-53-6
Jingsj CID
J-1050153-8
Molecular Formula
C12H13NO2S
Molecular Weight
235.30200 g/mol
Category
Organic Acids
Last updated
8/21/2026
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Physicochemical Properties

Exact Mass235.06700
PSA70.75000
LogP3.37620

GHS Safety & Compliance

Irritant / Health HazardSignal word: Danger
  • H302 — Harmful if swallowed
  • H312 — Harmful in contact with skin
  • H317 — May cause an allergic skin reaction
  • H332 — Harmful if inhaled
  • 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 3-isothiocyanatobenzoate?

The CAS number of tert-Butyl 3-isothiocyanatobenzoate is 486415-53-6.

What are the molecular formula and molecular weight of tert-Butyl 3-isothiocyanatobenzoate?

tert-Butyl 3-isothiocyanatobenzoate has molecular formula C12H13NO2S and molecular weight 235.30200 g/mol.

Is tert-Butyl 3-isothiocyanatobenzoate hazardous?

tert-Butyl 3-isothiocyanatobenzoate has GHS signal word Danger and hazard statements H302 — Harmful if swallowed; H312 — Harmful in contact with skin; H317 — May cause an allergic skin reaction.

What are the upstream and downstream products of tert-Butyl 3-isothiocyanatobenzoate?

For tert-Butyl 3-isothiocyanatobenzoate, Upstream Products: Thiophosgene, tert-Butyl 3-aminobenzoate.

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 3-isothiocyanatobenzoate (CAS 486415-53-6)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1050153-8 (accessed 2026-11-09).

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