기본 정보
- CAS
827-36-1- 표준 SMILES
CN(C)C(C#N)c1ccccc1- InChIKey
PAGHXXKYFBGJEH-UHFFFAOYSA-N- 분자식
- C10H12N2
- 평균 분자량
- 160.22 g/mol
- 단동위원소 질량
- 160.10004839
이름 및 식별자
- 우선 이름
- 827-36-1
- IUPAC
- 2-(dimethylamino)-2-phenylacetonitrile
- 영어명
- α-(Dimethylamino)phenylacetonitrile
- 분자식
- C10H12N2
- 분자량
- 160.22
이름 및 동의어
827-36-1alpha-(Dimethylamino)phenylacetonitrileACETONITRILE, (DIMETHYLAMINO)PHENYL-Acetonitrile, 2-(dimethylamino)-2-phenyl-alpha-Dimethylaminophenyl acetonitrileNSC 37416BRN 2089853Benzeneacetonitrile, alpha-(dimethylamino)-alpha-(Dimethylamino)benzeneacetonitrile4-14-00-01321 (Beilstein Handbook Reference)RefChem:312366Benzeneacetonitrile, alpha-(dimethylamino)-(9CI)
이름 더 보기
TIMTEC-BB SBB007705OTAVA-BB BB7020410109Dimethylaminophenylacetonitrile(dimethylamino)phenyl-acetonitrilPhenyl(dimethylamino)acetonitrilen,n-dimethyl-2-phenylglycinonitrileα-(Dimethylamino)phenylacetonitrileα-(Dimethylamino)benzeneacetonitrilealpha-dimethylaminophenylacetonitrile
624-137-6InChI=1/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H2-(dimethylamino)-2-phenylacetonitrile2-(dimethylamino)-2-phenyl-acetonitrileMFCD00013810ALPHA-(N,N-DIMETHYLAMINO)PHENYLACETONITRILE(dimethylamino)(phenyl)acetonitrilea-N,N-Dimethylaminophenylacetonitrile
데이터베이스 식별자
- CAS
827-36-1- PubChem CID
- 13227
- DTXSID
DTXSID601290345- UNII
- W5R673V7DN
- EC Number
- 624-137-6
- Nikkaji
- J55.002G
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 27 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 172
물리화학적 성질
- 끓는 점
- 88 · 88-90 °C(lit.)
- 밀도
- 0.997 g/mL · 0.997 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5145(lit.)
- 인화점
- 219 °F · 219 °F
- 산도 계수 (pKa)
- 4.29 · 4.29±0.50(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
- InChIKey
- PAGHXXKYFBGJEH-UHFFFAOYSA-N
- SMILES
- CN(C)C(C#N)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.7%)
안전 데이터
- wgk
- 3
- rtecs
- AL9625000
- ridadr
- UN3276
- HS 번호
- 2926907090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사11 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
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