Barban

Modify Date: 2026-07-01 19:03:21

Barban structure	Common Name	Barban
	CAS Number	101-27-9	Molecular Weight	258.101
	Density	1.4±0.1 g/cm3	Boiling Point	340.8±32.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₉Cl₂NO₂	Melting Point	75-76ºC
	MSDS	Chinese USA	Flash Point	159.9±25.1 °C
	Symbol	GHS07, GHS09	Signal Word	Warning

Use of Barban

Barban is a selective herbicide for wild oats.

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

Name	barban
Synonym	More Synonyms

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

Density	1.4±0.1 g/cm3
Boiling Point	340.8±32.0 °C at 760 mmHg
Melting Point	75-76ºC
Molecular Formula	C₁₁H₉Cl₂NO₂
Molecular Weight	258.101
Flash Point	159.9±25.1 °C
Exact Mass	257.001038
PSA	38.33000
LogP	3.87
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.607
InChIKey	MCOQHIWZJUDQIC-UHFFFAOYSA-N
SMILES	O=C(Nc1cccc(Cl)c1)OCC#CCCl

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Barban MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FD7700000

CHEMICAL NAME :: Carbanilic acid, m-chloro-, 4-chloro-2-butynyl ester

CAS REGISTRY NUMBER :: 101-27-9

BEILSTEIN REFERENCE NO. :: 2376181

LAST UPDATED :: 199706

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C11-H9-Cl2-N-O2

MOLECULAR WEIGHT :: 258.11

WISWESSER LINE NOTATION :: G2UU2OVMR CG

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 :: 527 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 27400 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 527 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 322 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 23000 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 20 ug/disc

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 40,19,1976 *** REVIEWS *** TOXICOLOGY REVIEW DTTIAF Deutsche Tieraerztliche Wochenschrift. (Hanover, Fed. Rep. Ger.) V.1-77, 1893-1970. Volume(issue)/page/year: 80,485,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

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

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302-H317-H410
Precautionary Statements	P273-P280-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn: Harmful;N: Dangerous for the environment;
Risk Phrases	R22
Safety Phrases	24-36/37-60-61
RIDADR	UN3077 9/PG 3
RTECS	FD7700000
HS Code	2924299013

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

4-Hydroxy-2-but...

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Literature: Journal of Organic Chemistry, , vol. 24, p. 2040

3-Chlorophenyl ...

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Literature: Agricultural and Biological Chemistry, , vol. 44, # 6 p. 1237 - 1240

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Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, p. 46 - 49,41 - 43

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

HS Code	2924299013
Summary	2924299013. VAT:17.0%. Tax rebate rate:9.0%. Supervision conditions:S(import or export registration certificate for pesticides). MFN tariff:6.5%. General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Synthesis of polyynes to model the sp-carbon allotrope carbyne.

Nature Chemistry 2(11) , 967-71, (2010)

Carbyne is an allotrope of carbon composed of sp-hybridized carbon atoms. Although its formation in the laboratory is suggested, no well-defined sample is described. Interest in carbyne and its potent...

Calcium-decorated carbyne networks as hydrogen storage media.

Nano Lett. 11(7) , 2660-5, (2011)

Among the carbon allotropes, carbyne chains appear outstandingly accessible for sorption and very light. Hydrogen adsorption on calcium-decorated carbyne chain was studied using ab initio density func...

The pressure tunning Raman and IR spectral studies on the multinuclear metal carbyne complexes.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 61(5) , 995-1000, (2005)

The Raman and infrared (IR) spectra of four tungsten metal carbyne complexes I, II, IV and V [Cl(CO)2(L)W[triple bond]CC6H4[triple bond](C[triple bond]CC6H4)n[triple bond]N[triple bond]C[triple bond]]...

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

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

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

Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester

4-Chlorobut-2-yn-1-yl (3-chlorophenyl)carbamate

Chlorinat

EINECS 202-930-4

MFCD00045297

4-Chloro-2-butyn-1-yl (3-chlorophenyl)carbamate

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate

N-(m-chlorophenyl)carbamic acid,4-chloro-2-butynyl ester

Karbin

4-chlorobut-2-ynyl 3-chlorocarbanilate

Carbine

4-chloro-2-butynyl 3-chlorocarbanilate

Barban

4-chloro-2-butynyl N-(m-chlorophenyl)carbamate

Carbin

Barbanate

4-Chlorobut-2-ynyl 3-chlorophenylcarbamate

Barbamate

Chlorinate

4-chloro-2-butynyl m-chlorocarbanilate

4-chloro-2-butyn-1-yl N-(3-chlorophenyl)carbamate

Barbane

Carbyne (herbicide)

Carbyne

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

Q: What is the LogP of barban?

A: LogP of barban is 3.87.

Q: What is the molecular weight of barban?

A: Molecular weight of barban is 258.101.

Q: What is the safety information for barban?

A: Safety information for barban: 24-36/37-60-61.

Q: What is the English name of barban?

A: The English name of barban is barban.

Q: What is the melting point of barban?

A: Melting point of barban is 75-76ºC.

Q: What is the boiling point of barban?

A: Boiling point of barban is 340.8±32.0 °C at 760 mmHg.

Q: What is the molecular formula of barban?

A: Molecular formula of barban is C11H9Cl2NO2.

Q: What is the CAS number of barban?

A: CAS number of barban is 101-27-9.

Q: What is the SMILES notation of barban?

A: SMILES notation of barban is O=C(Nc1cccc(Cl)c1)OCC#CCCl.

Q: What is the InChIKey of barban?

A: InChIKey of barban is MCOQHIWZJUDQIC-UHFFFAOYSA-N.

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

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Barban
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Carbamic acid,N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Barban

Use of Barban

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.