基本情報
- 標準SMILES
Nc1ccccn1- InChIKey
ICSNLGPSRYBMBD-UHFFFAOYSA-N- 分子式
- C5H6N2
- 平均分子量
- 94.11 g/mol
- 単同位体質量
- 94.05309819
概要
2-aminopyridine appears as white powder or crystals or light brown solid. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Aminopyridine
- IUPAC
- pyridin-2-amine
- 現地名
- アミノピリジン
- 英語名
- Pyridinamine.
- 分子式
- C5H6N2
- 分子量
- 94.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
24843-39-8、26445-05-6、504-29-0- PubChem CID
- 10439
- DTXSID
DTXSID0024505- ChEMBL
CHEMBL21619- UNII
- WSX981HEWU
- EC Number
- 207-988-4
- Nikkaji
- J1.569E
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 38.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 54
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Pyridines
Flammable agents - 2nd degree
LogP
log Kow= 0.48
0.49
Density
1.065 @ 20 °C/4 °C
1.07 @25 °C
Color/Form
White leaflets or large colorless crystals
WHITE POWDER OR CRYSTALS
White powder, leaflets, or crystals.
Leaflets, or large crystals
Solubility
10 to 50 mg/mL at 66 °F (NTP, 1992)
Soluble in alcohol, benzene, ether, and hot petrol ether
>100 g/100 g water @ 20 °C
Soluble in ethanol, ethyl ether, and acetone
Water solubility: >100g/100mL at 20 °C
Solubility in water: very good
Flash Point
198 °F (NTP, 1992)
198 ° F
68 °C, 154 °F (closed cup)
68 °C c.c.
198 °F
154 °F
Boiling Point
399 to 410 °F at 760 mmHg (NTP, 1992)
210.6 °C
Boiling point: 104-106 °C @ 20 mm Hg
211 °C
411 °F
210.6 °C @760 [mm Hg]
Melting Point
138 to 140 °F (NTP, 1992)
58.1 °C
58 °C
137 °F
58.1 °C
137 °F
物理化学的性質
- 沸点
- 165.6 °C · 165.6°C (rough estimate)
- 比重(密度)
- 1.0068 · 1.0068 (rough estimate)
- 屈折率
- 1.5 · 1.5000 (estimate)
- EPAの化学物質情報
- Pyridinamine (26445-05-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (2 of 156) of reports.
Danger
H301 (98.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: 2-Pyridinamine
Status: Active Update: 25-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21500
2-Aminopyridine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT Label
Poison
Poison
Fire Hazards
This chemical is combustible. (NTP, 1992)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Health Hazards
Excerpt from NIOSH Pocket Guide for 2-Aminopyridine:
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards Summary
A chemical plant worker died after a spill which contaminated his clothing. He did not remove his clothing, and symptoms began about 2 hours after the exposure with headache and dizziness followed by respiratory distress and convulsions. [ACGIH] See Pyridine.
DOT ID and Guide
2671 153
2671 153
Reactive Group
Amines, Phosphines, and Pyridines
Amines, Phosphines, and Pyridines
Reactivity Profile
2-AMINOPYRIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. Reacts with oxidizing agents (NTP, 1992).
AMINOPYRIDINES are amines. Highly toxic, may cause epilepsy-like convulsions, toxic effects resemble strychnine poisoning. When heated to decomposition (over 200 °C), it emits highly toxic fumes of oxides of nitrogen [Sax, 9th ed., p. 193].
安全と保護具
Fire Fighting
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Use water spray, powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention .
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
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.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
(General first aid procedures)
Fire Fighting Procedures
Extinguishant: Carbon dioxide, dry chemical, alcohol foam
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminopyridines/
Storage Conditions
IN GENERAL MATERIALS ... TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN COOL, WELL-VENTILATED PLACE, OUT OF ... SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED.
Cleanup Methods
Cover with 9:1 mixture of sand and soda ash. After mixing, transfer into a paper carton, stuffed with ruffled paper. Burn ... in furnace with afterburner and scrubber.
1. Ventilate area of spill. 2. For small quantities, sweep onto paper or other suitable material, place in appropriate container and burn in safe place (such as a fume hood).
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong 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.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
(a) Dissolve in such combustible solvent as alcohols ... etc. Spray the solution into the furnace with afterburner and scrubber. (b) Pour into a mixture of sand and soda ash (9:1). After mixing, put into a paper carton stuffed full with packing paper to serve as fuel. Burn in the furnace /with afterburner and scrubber/ and stand or position oneself on upwind side.
2-Aminopyridine may be disposed of: 1. By making packages of 2-aminopyridine in paper or other flammable material and burning in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device.
Spillage Disposal
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.
毒性情報
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 45(SRC), determined from a structure estimation method(2), indicates that 2-aminopyridine is expected to have very high mobility in soil(SRC). The pKa of 2-aminopyridine is 6.86(9), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. Volatilization of 2-aminopyridine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.5X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 2-Aminopyridine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.6X10-2 mm Hg(SRC), determined from a fragment constant method(4). 2-Aminopyridine degrades slowly(6) or is not readily biodegradable(5,8) in soil. In one study, 2-aminopyridine was found to completely degrade in 96 days under both aerobic and anaerobic conditions(7).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 45(SRC), determined from an estimation method(2), indicates that 2-aminopyridine is not expected to adsorb to suspended solids and sediment in water(SRC). The pKa of 2-aminopyridine is 6.86(8), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.5X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), BCFs of 3.0-7.7 and <5.1-25 at a concentration of 0.1 and 0.01 mg/l(6), respectively, and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low.
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-aminopyridine, which has an estimated vapor pressure of 9.6X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-aminopyridine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 19 hrs(SRC), calculated from its rate constant of 2X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Aminopyridines may be susceptible to photochemical degradation as this class of chemicals absorb above 280 nm(4).
Exposure Routes
The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and Symptoms
Convulsions. Dizziness. Headache. Nausea. Shortness of breath. Weakness.
MAY BE ABSORBED! Redness. Further see Inhalation.
Redness.
See Inhalation.
irritation eyes, nose, throat; headache, dizziness; excitement; nausea; high blood pressure; resp distress; lassitude (weakness, exhaustion); convulsions; stupor
Medical Surveillance
The following medical procedures should be made available to each employee who is exposed to 2-aminopyridine at potentially hazardous levels: 1. Initial medical screening: Employees should be screened for history of certain medical conditions ... /convulsive disorders, liver disease, kidney disease, and chronic respiratory disease/ which might place the employee at increased risk from 2-aminopyridine exposure. ... 2. Periodic medical examination: Any employee developing the above-listed conditions should be referred for further medical examination.
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-aminopyridine can be estimated to be 45(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-aminopyridine is expected to have very high mobility in soil. However, the pKa of 2-aminopyridine is 6.86(3), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.
Human Toxicity Excerpts
FATAL INTOXICATION OCCURRED IN A CHEMICAL OPERATOR WHO SPILLED 2-AMINOPYRIDINE DURING DISTILLATION. HE CONTINUED TO WORK IN CONTAMINATED CLOTHING FOR 1 1/2 HR. 2 HR LATER HE DEVELOPED DIZZINESS, HEADACHE, RESP DISTRESS, & CONVULSIONS THAT PROGRESSED TO RESP FAILURE & DEATH.
... CHEM OPERATOR ... MILLING 2-AMINOPYRIDINE WITHOUT PROTECTIVE EQUIPMENT ... DEVELOPED SEVERE POUNDING HEADACHE, NAUSEA, FLUSHING OF EXTREMITIES, & ELEVATED BLOOD PRESSURE, BUT RECOVERED FULLY NEXT DAY. SUBSEQUENT DETERMINATIONS ON THIS OPERATION REVEALED AIR CONCN OF 0.02 MG/L (5.2 PPM).
ACUTE POISONING CAN OCCUR EITHER FROM INHALATION OF THE DUST OR VAPOR @ RELATIVELY LOW CONCN, OR BY SKIN ABSORPTION FOLLOWING DIRECT CONTACT.
化学と産業
薬理情報
Mechanism of Action
AMINOPYRIDINES @ CONCN ABOVE 1X10-5 MOLAR CAUSED CONTRACTIONS OF GUINEA PIG ILEUM. AMINOPYRIDINES MAY ACT ON CHOLINERGIC NERVES IN ILEUM, CAUSING INCR RELEASE OF ACETYLCHOLINE BY FACILITATING CALCIUM MOVEMENT, NOT BLOCKING POTASSIUM CONDUCTANCE.
THE EFFECTS OF 2-, 3-, AND 4-AMINOPYRIDINES WERE INVESTIGATED ON THE ISOLATED CHICK NERVE-MUSCLE PREPARATION AND ON NERVE-FREE CELL CULTURES OF EMBRYONIC CHICK SKELETAL MUSCLE. ALL 3 COMPOUNDS REVERSED TUBOCURARINE BLOCKADE & AUGMENTED TWITCH HEIGHT IN INDIRECTLY STIMULATED ISOLATED NERVE-MUSCLE PREPN. THE AMINOPYRIDINES MAY FACILITATE NEUROMUSCULAR TRANSMISSION BY INCR ACETYLCHOLINE RELEASE IN RESPONSE TO NERVE STIMULATION.
2-AMINOPYRIDINE BLOCKED POTASSIUM CHANNELS OF SQUID AXON MEMBRANES IN MANNER DEPENDENT ON MEMBRANE POTENTIAL & DURATION & FREQUENCY OF VOLTAGE CLAMP PULSES. BINDING IS TO CLOSED K CHANNELS, RELEASED FROM OPEN CHANNELS IN VOLTAGE-DEPENDENT MANNER.
Metabolism/Metabolites
Rats were fed 100 or 1000 ppm methapyrilene in their diet for 1, 2, 4, 8 or 16 weeks. Liver microsomes were prepared from both control and treated rats. After incubation with 1 mM methapyrilene, eight metabolites were detected and six were quantitated. /One/ ... metabolites /was/ identified as ... 2-aminopyridine. ...
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Absorption, Distribution and Excretion
It may enter the body through the skin.
PYRIDINE & ITS ALKYL DERIVATIVES ARE ABSORBED FROM GI TRACT, INTRAPERITONEAL CAVITY & LUNGS. PERITONEAL ABSORPTION IS APPARENTLY ONLY SLIGHTLY MORE RAPID & COMPLETE THAN GI ABSORPTION... IN GENERAL THE BASES ARE RAPIDLY ABSORBED THROUGH INTACT SKIN. /ALKYL DERIVATIVES OF PYRIDINE/
MAJORITY OF /PYRIDINE/ DERIVATIVES TESTED ... PENETRATE INTACT GUINEA PIG SKIN READILY. AMINOPYRIDINES, VINYLPYRIDINES & 4-PICOLINE PENETRATE SKIN MOST RAPIDLY & AMYL DERIV & 5-ETHYL-2-METHYLPYRIDINE ARE LEAST READILY ABSORBED. /AMINOPYRIDINES/
用途と製造
Uses
Used to manufacture drugs and dyes; [Merck Index # 473]
Intermediate in chemical synthesis
Intermediate for antihistamines and other pharmaceuticals
Chemical intermediate for manufacture of pharmaceuticals; use in the manufacture of dyes, lubricant antioxidants, and herbicides.
Synthetic Polymer MALDI Matrix Compounds
General Manufacturing Information
2-Pyridinamine: ACTIVE
DERIVATIVES OF 2-AMINOPYRIDINE ARE USED AS COUPLERS IN HAIR COLORING
応用分野
一般的な説明Aminopyridine is a white or clear colored crystalline solid. Pyridinamine. is soluble in water and alcohol. Pyridinamine. is toxic by ingestion and by inhalation of the dust. Pyridinamine. is used to make pharmaceuticals and dyes.
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