4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논

4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논
4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논 구조식 이미지
카스 번호:
64091-91-4
한글명:
4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논
동의어(한글):
4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논
상품명:
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
동의어(영문):
NNK;Chebi:32692;Nnk (carcinogen);Nicotine-derived nitrosamine ketone;NNK 100 UG/ML IN NONANE/ETHANOL (9:1);4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE;4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
CBNumber:
CB0775599
분자식:
C10H13N3O2
포뮬러 무게:
207.23
MOL 파일:
64091-91-4.mol
MSDS 파일:
SDS

4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논 속성

녹는점
63-65°C
끓는 점
346.25°C (rough estimate)
밀도
1.1933 (rough estimate)
굴절률
1.4830 (estimate)
인화점
9℃
저장 조건
Amber Vial, -20°C Freezer
용해도
DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml,
산도 계수 (pKa)
3.19±0.10(Predicted)
BRN
3548355
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES
C(C1=CC=CN=C1)(=O)CCCN(C)N=O
CAS 데이터베이스
64091-91-4
IARC
1 (Vol. Sup 7, 89, 100E) 2012
EPA
4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn,T,F
위험 카페고리 넘버 26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
안전지침서 45-53-36/37-16
유엔번호(UN No.) 2811
WGK 독일 3
RTECS 번호 OB6465000
위험 등급 6.1
포장분류 II
HS 번호 38220090
유해 물질 데이터 64091-91-4(Hazardous Substances Data)
독성 LD50 intraperitoneal in mouse: 1gm/kg
중점관리물질 필터링 별표2-376
그림문자(GHS): GHS hazard pictogramsGHS hazard pictograms
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H301 삼키면 유독함 급성 독성 물질 - 경구 구분 3 위험 GHS hazard pictograms P264, P270, P301+P310, P321, P330,P405, P501
H317 알레르기성 피부 반응을 일으킬 수 있음 피부 과민성 물질 구분 1 경고 GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H351 암을 일으킬 것으로 의심됨 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 2 경고 P201, P202, P281, P308+P313, P405,P501
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
NFPA 704
1
0 0

4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논 C화학적 특성, 용도, 생산

화학적 성질

Off-White Crystals

용도

This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters

생산 방법

NNK is not produced commercially. NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing, aging, processing, and smoking of tobacco. NNK has been found in tobacco at levels up to 35 mg/kg, in snuff up to 8.3 mg/kg, and in cigarette smoke up to 0.5 mg per cigarette (179, 193). Common cigarette filters considerably reduce the amount of NNK that reaches the smoker. NNK is extracted from snuff by the saliva of users, and as much as 0.2 μg/g of saliva has been measured. Potential exposure to NNK is widespread also among those exposed to sidestream smoke and has been detected at 0.2–15.7 μg/ cigarette. Evidence from one comparative study of tobacco-specific nitrosamines in cigarettes suggests that levels of NNK (measured as a sum of all tobacco-specific nitrosamines) are higher in non-Moldovan cigarette tobacco and Moldovan blended cigarettes, suggesting that current tobacco production and manufacturing technologies may create conditions that favor N-nitrosation of alkaloids and other tobacco constituents.

일반 설명

Pale yellow crystalline solid.

공기와 물의 반응

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE may be sensitive to prolonged exposure to air and light.

반응 프로필

A nitrated amine and ketone. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

화재위험

Flash point data for 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE are not available; however, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE is probably combustible.

Safety Profile

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.

Carcinogenicity

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK) is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논 준비 용품 및 원자재

원자재

준비 용품


4-(N-나이트로소메틸아미노)-1-(3-피리딜)-1-뷰타논 공급 업체

글로벌( 95)공급 업체
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