기본 정보
- CAS
298-83-9- 표준 SMILES
COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1- InChIKey
JPXMTWWFLBLUCD-UHFFFAOYSA-N- 분자식
- C40H30N10O6+2
- 평균 분자량
- 746.7 g/mol
- 단동위원소 질량
- 746.23497872
개요
Nitro blue tetrazolium(2+) is an organic cation.
이름 및 식별자
- 우선 이름
- Nitro Blue Tetrazolium
- IUPAC
- 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium
- 현지명
- 니트로 BT
- 영어명
- Nitrotetrazolium blue chloride
- 분자식
- C40H30ClN10O6+
- 분자량
- 782.19
이름 및 동의어
NITROBLUE TETRAZOLIUMNitroblue tetrazolium ionNitroblue tetrazolium cation9GLB9XVS9NBlue, NitrotetrazoliumNitro tetrazolium BT7695-60-52H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-(4-nitrophenyl)-5-phenyl-DTXSID4048309Tetrazolium nitro BTNBT (dye)Tetrazolium Nitro Blue
이름 더 보기
나이트로BT니트로BT나이트로BTNBTNITRO BLUE TETRAZOLIUMNITRO BLUE TETRAZOLIUM CHLORIDENITRO BTP-NBTP-NITROTETRAZOLIUM BLUEP-NITRO BLUE TETRAZOLIUM4-NITRO BLUE TETRAZOLIUM CHLORIDENitrotetrazolium blue chloride(NBT)NBTMF
Nitroblue tetrazolium saltNitro Blue tetrazolium saltNitrotetrazolium Chloride BlueNitro-BTTetrazolium NitroblueNitroblue, TetrazoliumTetrazolium, Nitroblue2H-Tetrazolium, 3,3'-(3,3'-dimethoxy(1,1'-biphenyl))-4,4'-diyl bis(2-(4-nitrophenyl))-5-phenyl-, dichloride
물성
구조 계산 물성
- XLogP
- 12
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 56
- 형식 전하
- 2
- 복잡도
- 1,180
실험 및 물리화학적 성질
Chemical ClassesDyes -> Other Dyes
Physical DescriptionSolid; Color varies (colorless, yellow, blue or black); [ChemIDplus]
물리화학적 성질
- 녹는점
- 200 °C · 200°C
- 밀도
- 1.5521 · 1.5521 (rough estimate)
- 굴절률
- 1.735 · 1.7350 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 50 mg/mL, · 메탄올: 50mg/mL, 투명하고 매우 강한 노란색
- 물리적 상태
- 분말/고체
- 색상
- 노란색
- 수소이온지수(pH)
- 4.5 · 4.5-5.5
- 수용성
- 물, 에탄올, 메탄올에 용해됩니다.
- BRN
- 4115923 · 4115923
- 안정성
- 안정적이지만 차갑게 보관하세요.
- InChIKey
- FSVCQIDHPKZJSO-UHFFFAOYSA-L
- SMILES
- [Cl-].[Cl-].COc1cc(ccc1-[n+]2nc(nn2-c3ccc(cc3)[N+]([O-])=O)-c4ccccc4)-c5ccc(c(OC)c5)-[n+]6nc(nn6-c7ccc(cc7)[N+]([O-])=O)-c8ccccc8
- EPA
- 2 H-Tetrazolium, · 2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, dichloride (298-83-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (2 of 77) of reports.
Warning
H302 (79.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-, dichloride
2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, dichloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May be harmful after ingestion, inhalation, or skin contact; A skin, eye, and respiratory tract irritant; Target organs are liver, heart, kidneys, and eyes. May cause convulsions; LD50 (mouse) = 2000 mg/kg; [MSDSonline] Moderately toxic by ingestion. [Hawley]
Hazard Classes and CategoriesAcute Tox. 4 (79.2%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
용도 및 제조
Uses
Formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease. [ChemIDplus] A microscopic stain used to detect dehydrogenases and alkaline phosphatase; [Ullmann]
General Manufacturing Information2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, chloride (1:2): ACTIVE
응용 분야
개요Nitro Blue Tetrazolium (NBT) is a chromogenic substrate that, like other tetrazolium compounds, can be reduced to produce a colored formazan derivative. It is used in the “NBT test” to evaluate the activity of NADPH oxidase in phagocytes, which results in the production of blue reduced NBT formazan in normal cells but not in those from patients with chronic granulomatous disease. NBT can also be used as a chromogenic activity stain for oxidoreductases in gels or solutions. More commonly NBT is often paired with 5-bromo-4-chloro-3-inolyl phosphate (PCIB) for the colorimetric detection of alkaline phosphatase activity. Alkaline phosphate converts PCIB to a product that reduces NBT to its formazan derivative, resulting in a black-purple precipitate.
Nitrotetrazolium Blue Chloride is a Tetrazolium dye used in colorimetric assays. It can be used to assess cell viability as a function of redox potential. Intense blue dye used in histochemistry determinations. actively respiring cells convert the water-soluble NBT to a deep blue-colored precipitate.
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