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异氰酸正丁酯

异氰酸正丁酯用途

有机合成中间体，用于杀菌剂苯莱特的生产。

异氰酸正丁酯名称

[ CAS 号 ]:
111-36-4

[ 中文名 ]:
异氰酸正丁酯

[ 英文名 ]:
1-Isocyanatobutane

[中文别名 ]:

[英文别名 ]:

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

异氰酸正丁酯物理化学性质

[ 密度 ]:
0.9±0.1 g/cm3

[ 沸点 ]:
115.0±0.0 °C at 760 mmHg

[ 熔点 ]:
85.5℃

[ 分子式 ]:
C₅H₉NO

[ 分子量 ]:
99.131

[ 闪点 ]:
17.8±0.0 °C

[ 精确质量 ]:
99.068413

[ PSA ]:
29.43000

[ LogP ]:
2.42

[ 外观性状 ]:
无色至淡的黄色液体

[ 蒸汽密度 ]:
3 (vs air)

[ 蒸汽压 ]:
19.4±0.2 mmHg at 25°C

[ 折射率 ]:
1.429

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开储运存放

[ 水溶解性 ]:
水溶性：微溶

异氰酸正丁酯MSDS

异氰酸正丁酯毒性和生态

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)

异氰酸正丁酯安全信息

[ 符号 ]:

GHS02, GHS05, GHS06, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H302-H311-H314-H330-H334

[ 警示性声明 ]:
P210-P260-P280-P284-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
F:Flammable

[ 风险声明 (欧洲) ]:
R11;R21/22;R26;R34;R37;R42/43

[ 安全声明 (欧洲) ]:
S23-S26-S28-S36/37/39-S45

[ 危险品运输编码 ]:
UN 2485 6.1/PG 1

[ WGK德国 ]:
1

[ RTECS号 ]:
NQ8250000

[ 包装等级 ]:
I

[ 危险类别 ]:
6.1(a)

[ 海关编码 ]:
2929109000

异氰酸正丁酯合成路线

异氰酸正丁酯上下游产品

异氰酸正丁酯上游产品

异氰酸正丁酯下游产品

异氰酸正丁酯制备

1.由正丁胺与光气作用而得。将正丁胺、邻二氯苯加入反应器中，在搅拌下通干燥的氯化氢气体直至饱和，然后在110-160℃通入过量光气，至溶液变清后再通入20-30min，通毕，蒸馏，收集160℃以前馏分，再经蒸馏，收集106-120℃馏分，加入无水碳酸钾静置，过滤而得成品。此外，由溴丁烷与氰酸钾在有机溶剂（二甲基甲酰胺）中作用，亦可制得。

2.制法：

于装有搅拌器、温度计、回流冷凝器、通气导管（伸入瓶底）的反应瓶中，加入正丁胺（2）73g（1.0mol），邻二氯苯1L，搅拌下通入干燥的氯化氢气体至饱和，生成丁胺盐酸盐。加热，于110～160℃通入光气，反应液澄清后继续通入光气25min。蒸馏，收集160℃以前的馏分，再重新蒸馏，收集106～120℃的馏分，用无水碳酸钾干燥，过滤，得异氰酸丁酯（1）70g，收率70%。

异氰酸正丁酯海关

[ 海关编码 ]: 2929109000

[ 中文概述 ]:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

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

异氰酸正丁酯文献

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...

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