バレロニトリル

Valeronitrile

HCID 8061CAS 110-59-8

基本情報

標準SMILES
CCCCC#N
InChIKey
RFFFKMOABOFIDF-UHFFFAOYSA-N
分子式
C5H9N
平均分子量
83.13 g/mol
単同位体質量
83.07349929

名称と識別子

優先名称
Valeronitrile
IUPAC
pentanenitrile
現地名
バレロニトリル
英語名
Valeronitrile
分子式
C5H9N
分子量
83.13

名称と別名

VALERONITRILEPentanenitrile110-59-8Butyl cyanide1-Cyanobutane1-Butyl cyaniden-BUTYL CYANIDEPentanonitrilen-PentanenitrileEINECS 203-781-8CCRIS 6114DTXSID3026275
名称をさらに表示
バレロニトリルn-ペンタノニトリルブチルシアニドn-バレロニトリルペンタンニトリルn-吉草酸ニトリル吉草酸ニトリルバレロニトリル, 99%PENTANITRILEValeronitrilN-VALERONITRILEPENTANE NITRILENITRILE C5zhnegwujinButylcyanid1-Cyanbutan
BRN 1736706AI3-30052Butane, 1-cyano-X44H3R47D4VALERONITRILE [MI]DTXCID106275EC 203-781-84-02-00-00875 (Beilstein Handbook Reference)

データベース識別子

CAS
110-59-8
PubChem CID
8061
DTXSID
DTXSID3026275
ChEMBL
CHEMBL1503158
ChEBI
CHEBI:192304
UNII
X44H3R47D4
EC Number
203-781-8
Nikkaji
J5.095D

物性

構造計算による物性

XLogP
1.1
極性表面積
23.8 Ų
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
2
重原子数
6

実験および物理化学的性質

LogP1.12
Density · 2 件

0.8008 at 68 °F (NTP, 1992) - Less dense than water; will float

0.8008 @ 20°C

Solubility1 to 5 mg/mL at 72.5 °F (NTP, 1992)
Flash Point105 °F (NTP, 1992)
Boiling Point · 3 件

282 to 286 °F at 760 mmHg (NTP, 1992)

141.00 to 142.00 °C. @ 760.00 mm Hg

141.3 °C @760 [mm Hg]

Melting Point · 3 件

-141 °F (NTP, 1992)

-96.2 °C

-96.2 °C

物理化学的性質

融点
96 °C · −96 °C(lit.)
沸点
139 · 139-141 °C(lit.)
比重(密度)
0.795 g/mL · 0.795 g/mL at 25 °C(lit.)
蒸気圧
7 hPa · 7.0 hPa (20 °C)
屈折率
20 · n20/D 1.397(lit.)
闪点
105 °F · 105 °F

化学的性質

化学的特性Clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (98.4%): Flammable liquid and vapor [Warning Flammable liquids];H301 (73.4%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (26.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P301+P317, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pentanenitrile

Status: Active Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5544

Pentanonitrile: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid Poison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Exposure to this compound may cause irritation.;ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. When heated to decomposition this compound may produce carbon monoxide, carbon dioxide and NOx. (NTP, 1992)

Hazards SummaryAn irritant; [MSDSonline] May be harmful after ingestion, inhalation, or skin absorption; [CAMEO] See NITRILES.
Reactive GroupNitriles

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemi cal, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Protective Action Criteria (PAC) · 3 件

1.0 [mg/m3]

11 [mg/m3]

66 [mg/m3]

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

法規制情報

Regulatory Information · 3 件

Chemical: Pentanenitrile

Status: Active Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5544

Pentanonitrile: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
rtecs
YV8195000
ridadr
UN 1992 3/PG 3
毒性
LD50 orally in male mice: 2.297 mmol/kg (Tanii)
hs_code
29332100

化学と産業

薬理情報

Cellular LocationsCytoplasm;Extracellular

用途と製造

UsesUsed as a solvent; [Merck Index]
General Manufacturing InformationPentanenitrile: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用Valeronitrile is used as building block in organic synthesis. Product Data Sheet

一般的な説明Clear colorless to yellow liquid.

調製方法

Valeronitrile can be synthesized by dehydration of valeronamide. The nitrile is also found in nature and is a constituent of coal gasification and oil shale processing waste water, sewage wastewater and tobacco smoke.

純化方法Wash the nitrile with half its volume of conc HCl (twice), then with saturated aqueous NaHCO3, dry it with MgSO4 and fractionally distil it from P2O5. [Beilstein 2 H 301, 2 I 131, 2 II 267, 2 III 675, 2 IV 875.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

22 件

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