기본 정보
- CAS
1187-42-4- 표준 SMILES
N#C/C(N)=C(/N)C#N- InChIKey
DPZSNGJNFHWQDC-ARJAWSKDSA-N- 분자식
- C4H4N4
- 평균 분자량
- 108.1 g/mol
- 단동위원소 질량
- 108.04359613
개요
Diaminomaleonitrile is a brown powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Diaminomaleonitrile
- IUPAC
- (Z)-2,3-diaminobut-2-enedinitrile
- 현지명
- 디아미노말레오니트릴
- 영어명
- Diaminomaleonitrile
- 분자식
- C4H4N4
- 분자량
- 108.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1187-42-4、18514-52-8- PubChem CID
- 2723951
- DTXSID
DTXSID0024923- ChEMBL
CHEMBL1701646- UNII
- E8C63N8TWR
- EC Number
- 214-697-6
- Nikkaji
- J38.151I
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 99.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 178 · 178-179 °C (lit.)
- 끓는 점
- 192.71 °C · 192.71°C (rough estimate)
- 밀도
- 1 · 1,36 g/cm3
- 굴절률
- 1.626 · 1.6260 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 5000 mg/L · 5000mg/L
- 산도 계수 (pKa)
- -2.77 · -2.77±0.70(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 갈색
- 수용성
- 5 g/L · 5 g/L (25 ºC)
- BRN
- 878333 · 878333
- InChI
- 1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-
- InChIKey
- DPZSNGJNFHWQDC-ARJAWSKDSA-N
- SMILES
- N\C(C#N)=C(/N)C#N
- EPA
- Diaminomaleonitrile (1187-42-4)
화학적 성질
brown crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (27.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 및 보호
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3439 6.1/PG 3
- HS 번호
- 29269095
- risk_code
- 20/21/22-25
- hazard_code
- Xn,T
- safety_code
- 36-24/25
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
일반 설명Brown powder.
제조 방법
Diaminomaleonitrile is obtained by tetramerization of hydrocyanic acid in the presence of catalysts such as alkylaluminum compounds.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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