1-Isocyanatobutane

Modify Date: 2025-08-21 06:49:07

1-Isocyanatobutane structure	Common Name	1-Isocyanatobutane
	CAS Number	111-36-4	Molecular Weight	99.131
	Density	0.9±0.1 g/cm3	Boiling Point	115.0±0.0 °C at 760 mmHg
	Molecular Formula	C₅H₉NO	Melting Point	85.5℃
	MSDS	Chinese USA	Flash Point	17.8±0.0 °C
	Symbol	GHS02, GHS05, GHS06, GHS08	Signal Word	Danger

Name	n-butyl isocyanate
Synonym	More Synonyms

Density	0.9±0.1 g/cm3
Boiling Point	115.0±0.0 °C at 760 mmHg
Melting Point	85.5℃
Molecular Formula	C₅H₉NO
Molecular Weight	99.131
Flash Point	17.8±0.0 °C
Exact Mass	99.068413
PSA	29.43000
LogP	2.42
Vapour density	3 (vs air)
Vapour Pressure	19.4±0.2 mmHg at 25°C
Index of Refraction	1.429
InChIKey	HNHVTXYLRVGMHD-UHFFFAOYSA-N
SMILES	CCCCN=C=O

1-Isocyanatobutane MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ8250000

CHEMICAL NAME :: Isocyanic acid, butyl ester

CAS REGISTRY NUMBER :: 111-36-4

LAST UPDATED :: 199710

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C5-H9-N-O

MOLECULAR WEIGHT :: 99.15

WISWESSER LINE NOTATION :: OCN4

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 :: 600 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 gm/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 680 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05701

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528441

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528347 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15 mg/m3/6H/5D-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Lungs, Thorax, or Respiration - changes in lung weight Biochemical - Metabolism (Intermediary) - other proteins

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 66,118,1992 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83605 No. of Facilities: 23 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 585 (estimated)

Symbol	GHS02, GHS05, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H302-H311-H314-H330-H334
Precautionary Statements	P210-P260-P280-P284-P305 + P351 + P338-P310
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	F:Flammable
Risk Phrases	R11;R21/22;R26;R34;R37;R42/43
Safety Phrases	S23-S26-S28-S36/37/39-S45
RIDADR	UN 2485 6.1/PG 1
WGK Germany	1
RTECS	NQ8250000
Packaging Group	I
Hazard Class	6.1(a)
HS Code	2929109000

Precursor 10
CAS#:29262-59-7 2-(n-butylamino... CAS#:124-38-9 Carbon dioxide CAS#:109-73-9 n-butylamine CAS#:41891-17-2 N-butylcarbamoy...
CAS#:591-62-8 Carbamic acid,N... CAS#:32315-10-9 Triphosgene CAS#:106-48-9 4-Chlorophenol CAS#:2594-21-0 Carbamic acid,N...
CAS#:1792-17-2 1,3-Dibutylurea CAS#:75-44-5 phosgene
DownStream 9
CAS#:105873-72-1 3-butyl-4-ethyl... CAS#:105873-73-2 3-butyl-5-ethyl... CAS#:339-43-5 Carbutamide CAS#:141799-76-0 E-5324
CAS#:143207-32-3 N-butyl-2-oxo-1... CAS#:1461-79-6 1-Piperidinecar... CAS#:1792-17-2 1,3-Dibutylurea CAS#:131581-74-3 2,4-dibutyl-9-c...
CAS#:513-81-5 2,3-DIMETHYL-1,...

HS Code	2929109000
Summary	2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

n-Butyl isocyanide oxidation at the [NiFe4S4OH(x)] cluster of CO dehydrogenase.

J. Biol. Inorg. Chem. 17(2) , 167-73, (2012)

Carbon monoxide dehydrogenases (CODHs) catalyze the reversible oxidation of carbon monoxide by reaction with water to yield carbon dioxide, two protons, and two electrons. Two principal types of CODHs...

Assessing N,N'-Dibutylurea (DBU) formation in soils after application of n-butylisocyanate and benlate fungicides.

J. Agric. Food Chem. 52(4) , 747-54, (2004)

N,N'-Dibutylurea (DBU) is a breakdown product of benomyl [methyl 1-(butylcarbamoyl)-2-benzimidazole carbamate], the active ingredient in Benlate fungicides, and has been proposed as one cause for crop...

Butyl isocyanide as a probe of the activation mechanism of soluble guanylate cyclase. Investigating the role of non-heme nitric oxide.

J. Biol. Chem. 282(49) , 35741-8, (2007)

Nitric oxide (NO) is a physiologically relevant activator of the hemoprotein soluble guanylate cyclase (sGC). In the presence of NO, sGC is activated several hundredfold above the basal level by a mec...

n-butyl isocynate

n-Butyl isocyanate

1-Isocyanatobutane

1-Butyl Isocyanate

Butylisocyanat

n-C4H9NCO

Butyl isocyanate

Isocyanic Acid Butyl Ester

EINECS 203-862-8

n-bic

Butane, 1-isocyanato-

ISOCYANATOBUTANE

n-butyl isocyanante

butyl-isocyanate

BIC

MFCD00002046

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1-Isocyanatobutane
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 1-Isocyanatobutane
Price: ￥88.0/25ml ￥278.0/100ml
Purity: 98.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Butyl isocyanate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: n-butyl isocyanate
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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