기본 정보
- 표준 SMILES
CN(C)c1ccc(N)cc1.O=S(=O)(O)O- InChIKey
GLUKPDKNLKRLHX-UHFFFAOYSA-N- 분자식
- C8H12N2.H2O4S
- 평균 분자량
- 234.28 g/mol
- 단동위원소 질량
- 234.06742793
이름 및 식별자
- 우선 이름
- N,N-Dimethyl-p-phenylenediamine sulfate
- IUPAC
- 4-N,4-N-dimethylbenzene-1,4-diamine;sulfuric acid
- 영어명
- N N-DIMETHYL-1 4-PHENYLENEDIAMINE SULFA&
- 분자식
- C8H14N2O4S
- 분자량
- 234.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
536-47-0、56331-39-6、60160-75-0、6219-73-4- PubChem CID
- 80351
- DTXSID
DTXSID40883430- UNII
- X997IVP3JA
- EC Number
- 208-636-2、228-292-7、262-092-0
물성
구조 계산 물성
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 175
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 200 · 200-205 °C (dec.)(lit.)
- 끓는 점
- 495 °C · 495 °C(lit.)
- 저장 조건
- Refrigerator
- 용해도
- 50 mg/mL, · 물: 가용성 50mg/mL, 투명하거나 흐릿함, 무색 내지 희미한 노란색 또는 분홍색
- 물리적 상태
- 가루
- 색상
- 베이지색~회색~오렌지색 또는 갈색
- 수용성
- 물에 용해됩니다.
- BRN
- 4612278 · 4612278
- InChI
- 1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
- InChIKey
- GLUKPDKNLKRLHX-UHFFFAOYSA-N
- SMILES
- OS(O)(=O)=O.CN(C)c1ccc(N)cc1
- EPA
- 1 · 1,4-Benzenediamine, N,N-dimethyl-, sulfate (1:1) (536-47-0)
화학적 성질
beige-greyish to orange or brown powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 1,4-Benzenediamine, N,N-dimethyl-, sulfate (1:1)
Chemical: 1,4-Benzenediamine, N1,2-dimethyl, sulfate(1:1)
Chemical: 1,4-Benzenediamine, N,N-dimethyl-, sulfate
1,4-Benzenediamine, N,N-dimethyl-, sulfate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 1,4-Benzenediamine, N,N-dimethyl-, sulfate: Environment tier I assessment
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 3 (100%)
Acute Tox. 3 (66.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- HS 번호
- 29215900
- risk_code
- 23/24/25-36/37/38
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 6.1
- F 고인화성물질
- 3-8
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
1,4-Benzenediamine, N1,N1-dimethyl-, sulfate (1:1): ACTIVE
1,4-Benzenediamine, N1,N1-dimethyl-, sulfate (1:?): ACTIVE
응용 분야
용도N,N-Dimethyl-p-phenylenediamine sulfate salt is used to investigate the role of H2S in cardioprotection induced by ischemic preconditioning in rat heart, in spectrophotometric determination of gold(III) in gold-pharmaceuticals such as sodium aurothimaleate and auranofin, to investigate colonic tissue H2S production using the acetate trapping assay system.
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