N,N-ジブチルホルムアミド

N,N-ジブチルホルムアミド · N,N‐ジブチルホルムアミド · N,N-ジ-N-ブチルホルムアミド · N,N-ジ-n-ブチルホルムアミド, 99% · Formamide, N,N-dibutyl- · Dibutylformamide · n,n-dibutyl-formamid · N,N-Di-n-butyL

https://huagongshe.com/ja/chemical/12975

識別子と物理属性

CAS No.	761-65-9
分子式	C9H19NO
平均分子量	157.25 g/mol
単同位体質量	157.14666423 g/mol
SMILES	CCCCN(C=O)CCCC
InChIKey	NZMAJUHVSZBJHL-UHFFFAOYSA-N
PubChem CID	12975
EC No.	212-090-0
DTXSID	DTXSID3022114
現地名	N,N-ジブチルホルムアミド

化学・物理的性質

XLogP	2.2
極性表面積	20.3
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	6
重原子数	11
形式電荷	0
複雑度	85
Physical Description	Colorless liquid[Alfa Aesar MSDS]
Kovats Retention Index	1310131917421773174617671744
融点	<-30°C
沸点	120 °C15 mm Hg(lit.)
密度	0.864 g/mL at 25 °C(lit.)
蒸気圧	<1 mm Hg ( 20 °C)
屈折率	n20/D 1.44(lit.)
引火点	213 °F
貯蔵条件	2-8°C
外観・状態	clear liquid
pKa（酸解離定数）	-0.44±0.70(Predicted)
比重	0.864
色	Colorless to Light yellow
溶解度	水に不溶。
BRN	636100
InChI	1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKey	NZMAJUHVSZBJHL-UHFFFAOYSA-N
SMILES	[H]C(=O)N(CCCC)CCCC
LogP（分配係数）	2 at 23℃
CAS データベース	761-65-9(CAS DataBase Reference)
NISTの化学物質情報	Formamide, N,N-dibutyl-(761-65-9)
EPAの化学物質情報	N,N-Dibutylformamide (761-65-9)

化学的特性

CLEAR COLOURLESS TO YELLOW LIQUID

安全性と法規制

GHS 分類	DangerH302 (77.3%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (74.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (74%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (22.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (74%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H412 (76.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 181 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
規制情報	Status: Active Update: 02-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24019Formamide, N,N-dibutyl-: Does not have an individual approval but may be used under an appropriate group standard
有害性の概要	Causes flaccid paralysis without anesthesia and somnolence in intraperitoneal lethal-dose studies of mice and rats[RTECS] A skin and strong eye irritantToxic by ingestionReproductive effects observed in experimental animals[Alfa Aesar MSDS] See Dimethylformamide.
Hazard Classes and Categories	Acute Tox. 4 (77.3%)Acute Tox. 3 (74.6%)Skin Corr. 1C (74%)Skin Sens. 1 (22.1%)Eye Dam. 1 (74%)Aquatic Chronic 3 (76.8%)
有害作用	Neurotoxin - Acute solvent syndrome

用途

有機合成原料。

使用

N,N-dibutylformamide is a pollutant sourcing from aerosols and or exhaust gases in Los Angeles.

製法・合成法

純化方法

Purify the amide by fractional distillation [Mandel & Hill J Am Chem Soc 76 3981 1954]. [Beilstein 4 IV 565.]