Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI)

Modify Date: 2026-09-22 11:44:15

Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI) Structure
Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI) structure
Common Name Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI)
CAS Number 3159-29-3 Molecular Weight 393.22100
Density 1.459g/cm3 Boiling Point 470.2ºC at 760mmHg
Molecular Formula C18H14Cl2N2O4 Melting Point N/A
MSDS N/A Flash Point 238.2ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.459g/cm3
Boiling Point 470.2ºC at 760mmHg
Molecular Formula C18H14Cl2N2O4
Molecular Weight 393.22100
Flash Point 238.2ºC
Exact Mass 392.03300
PSA 76.66000
LogP 4.94000
Index of Refraction 1.66
InChIKey PXWJNTIDFAQYNZ-UHFFFAOYSA-N
SMILES O=C(Nc1cccc(Cl)c1)OCC#CCOC(=O)Nc1cccc(Cl)c1

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FD7697000
CHEMICAL NAME :
Carbanilic acid, 3-chloro-, 2-butenylene ester
CAS REGISTRY NUMBER :
3159-29-3
BEILSTEIN REFERENCE NO. :
3013510
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H14-Cl2-N2-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2035 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,958,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,958,1986

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2924299090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~%

Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI) Structure

Carbamic acid,(...

CAS#:3159-29-3

Learn More
Literature: Hopkins et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 2040

~%

Carbamic acid,(3-chlorophenyl)-, 2-butyne-1,4-diyl ester (9CI) Structure

Carbamic acid,(...

CAS#:3159-29-3

Learn More
Literature: Hopkins et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 2040

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  0

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Total 2, Current Page 1 of 1
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Carbanilic acid,3-chloro-,2-butenylene ester
3-Chlorocarbanilic acid 2-butenylene ester
2-Butinylen-bis-N-3-chlorfenyl karbamat

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: CAS number of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is 3159-29-3.
Q: What is the InChIKey of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: InChIKey of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is PXWJNTIDFAQYNZ-UHFFFAOYSA-N.
Q: What are the upstream materials of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: Related upstream materials(CAS) of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate: 2909-38-8;3159-28-2.
Q: What is the LogP of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: LogP of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is 4.94000.
Q: What is the boiling point of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: Boiling point of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is 470.2ºC at 760mmHg.
Q: What is the English name of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: The English name of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate.
Q: What is the molecular weight of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: Molecular weight of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is 393.22100.
Q: What is the Chinese name of 3159-29-3?
A: Chinese name of 3159-29-3 is 3159-29-3.
Q: What English synonyms does 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate have?
A: English synonyms of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate: Carbanilic acid,3-chloro-,2-butenylene ester, 3-Chlorocarbanilic acid 2-butenylene ester, 2-Butinylen-bis-N-3-chlorfenyl karbamat.
Q: What is the molecular formula of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate?
A: Molecular formula of 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate is C18H14Cl2N2O4.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.
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