기본 정보
- CAS
7321-55-3- 표준 SMILES
CC(C)(C#N)C#N- InChIKey
BCMJJXWXMZYZKN-UHFFFAOYSA-N- 분자식
- C5H6N2
- 평균 분자량
- 94.11 g/mol
- 단동위원소 질량
- 94.0530982
이름 및 식별자
- 우선 이름
- 2,2-Dimethylpropanedinitrile
- IUPAC
- 2,2-dimethylpropanedinitrile
- 현지명
- 디메틸말로노니트릴
- 영어명
- Dimethylmalononitrile
- 분자식
- C5H6N2
- 분자량
- 94.11
이름 및 동의어
DIMETHYLMALONONITRILE7321-55-32,2-dimethylpropanedinitrilePropanedinitrile, dimethyl-DTXSID20223456DMMN compundRefChem:588571DTXCID20145947628-248-02,2-Dimethylmalononitrile2,2-Dicyanopropanedimethylpropanedinitrile
이름 더 보기
디메틸말로노니트릴Dimethylmalonitrilemalononitrile,dimethyl-DiMethylMalononitrile 97%propanedinitrile,dimethyl-
Malononitrile, dimethyl-MFCD01321253DimethyldicyanomethaneNSC86109NSC-86109DKA7D8BU8CUNII-DKA7D8BU8C2,2-dimethyl-malononitrile
데이터베이스 식별자
- CAS
7321-55-3- PubChem CID
- 23742
- DTXSID
DTXSID20223456- UNII
- DKA7D8BU8C
- EC Number
- 628-248-0
- Nikkaji
- J102.051J
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 131
물리화학적 성질
- 녹는점
- 31 · 31-33 °C (lit.)
- 끓는 점
- 120 °C/33 · 120 °C/33 mmHg (lit.)
- 밀도
- 0.969 · 0.9690 (rough estimate)
- 굴절률
- 1.54 · 1.5400 (estimate)
- 인화점
- 145 °F · 145 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
- InChIKey
- BCMJJXWXMZYZKN-UHFFFAOYSA-N
- SMILES
- C(#N)C(C)(C)C#N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (100%)；STOT SE 3 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2926 4.1/PG 3
- HS 번호
- 2926907090
- risk_code
- 11-23/24/25-36/37/38
- hazard_code
- F,T
- safety_code
- 16-26-36/37/39-45
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 4.1B - Flammable solid hazardous materials
화학 및 산업
응용 분야
용도Dimethylmalononitrile may be employed as a starting reagent in the synthesis of bisoxazolines and (4′S,5′S)-2,2-bis[4′-hydroxymethyl-5′-phenyl-1′,3′-oxazolin-2′-yl]propane.
상·하류 제품 정보
하류 제품
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Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
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天津希恩思生化科技有限公司400 638 7771 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
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TCI AMERICA800-4238616 · [email protected]
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