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3,3'-Dicarboxybenzidine

HCID 16475
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2130-56-5
표준 SMILES
Nc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O
InChIKey
IIQLVLWFQUUZII-UHFFFAOYSA-N
분자식
C14H12N2O4
평균 분자량
272.26 g/mol
단동위원소 질량
272.07970687

이름 및 식별자

우선 이름
3,3'-Dicarboxybenzidine
IUPAC
2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid
영어명
4,4'-DIAMINOBIPHENYL-3,3'-DICARBOXYLIC ACID
분자식
C14H12N2O4
분자량
272.26

이름 및 동의어

2130-56-5Benzidine-3,3'-dicarboxylic acid4,4'-diaminobiphenyl-3,3'-dicarboxylic acid5,5'-Bianthranilic acid5,5'-Dianthranilic acid3,3'-Benzidinedicarboxylic acidBenzidine-M,M'-dicarboxylic acid3,3'-dicarboxy-4,4'-diaminobiphenyl3,3'-DICARBOXYBENZIDINEPLU8S18T9FHSDB 27384,4'-Diamino-3,3'-biphenyldicarboxylic acid
이름 더 보기
5,5’-dianthranilicacid5,5’-bianthranilicacid3,3’-dicarboxybenzidinekwasbenzydynodwukaroksylowy3,3’-benzidinedicarboxylicacidbenzidine-m,m’-dicarboxylicacid3,3′-dicarboxyl-4,4′-diaminobiphenyl4,4’-diamino-3’-biphenyldicarboxylicacid
EINECS 218-348-9Kwas benzydynodwukaroksylowy [Polish]3,3'-Biphenyldicarboxylic acid, 4,4'-diamino-Kwas benzydynodwukaroksylowyBRN 2815505DTXSID4062195(1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4,4'-diamino-[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4,4'-diamino-

데이터베이스 식별자

CAS
2130-56-5
PubChem CID
16475
DTXSID
DTXSID4062195
ChEMBL
CHEMBL1584156
UNII
PLU8S18T9F
EC Number
218-348-9
Nikkaji
J36.112G

물성

구조 계산 물성

XLogP
2.3
극성 표면적
127 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
20
형식 전하
0
복잡도
351

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Benzidine and Derivatives
Color/FormWhite crystals
Solubility · 2건

Sol in alcohol, ether; insol in water

>40.8 [ug/mL] (The mean of the results at pH 7.4)

DecompositionWhen heated to decomp it emits toxic fumes of /nitrogen oxides/.
Physical DescriptionWhite solid; [HSDB]

물리화학적 성질

녹는점
300 °C · 300°C
끓는 점
415.31 °C · 415.31°C (rough estimate)
밀도
1.2499 · 1.2499 (rough estimate)
굴절률
1.618 · 1.6180 (estimate)
저장 조건
2 · 2-8°C, protect from light
산도 계수 (pKa)
2.07 · 2.07±0.10(Predicted)
색상
바늘같은 물질
InChI
InChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Hazards SummarySome evidence for carcinogenicity in rodents when dosed subcutaneously; Emergency treatment: Methemoglobinemia; [HSDB] See Benzidine.

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts · 1건

3,3'-BENZIDINE DICARBOXYLIC ACID (BDC) SUBCUTANEOUSLY ADMIN TO RATS ONCE A WEEK AT 20 MG FOR 18 MO & TO MICE ONCE A WK AT 5 MG FOR 20.5 MO & WITH FOOD AT 2 MG SIX TIMES WEEKLY HAD A CARCINOGENIC EFFECT, ESP ON THE LIVER OF MICE & ON THE BLOOD FORMING ORGANS, GLANDULAR SECTION OF STOMACH & MAMMARY GLANDS OF RATS. BDC AND ITS SODIUM SALT WERE MUCH LESS CARCINOGENIC THAN BENZIDINE, O-TOLUIDINE BENZIDINE, & 3,3'-DICHLOROBENZIDINE, SUGGESTING THAT THE ABILITY OF AN ORTHO CARBOXYL GROUP TO FORM HYDROGEN BONDS WITH THE AMINO GROUP REDUCES THE FREE RADICAL & BLASTOMOGENIC EFFECTS OF BENZIDINE DERIVATIVES.

Probable Routes of Human Exposure · 1건

Processes in which dried dye is handled have the greatest potential for employee exposure during the manufacture or repackaging of benzidine-based dyes. ... During use of benzidine-based dyes, the greatest potential for exposure would be expected to be among dye-weighers who handle dry powders. /Benzidine-based dyes/

Antidote and Emergency Treatment · 2건

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

화학 및 산업

용도 및 제조

Uses · 3건

Used to make copper azo dyes; [HSDB]

Dyestuff

Used for the manufacture of azo dyes containing copper

Methods of ManufacturingBy boiling meta-nitrobenzaldehyde with caustic soda, reducing with zinc dust and acidifying.
General Manufacturing Information[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4,4'-diamino-: INACTIVE
제조 방법 · 1건

생산 방법Benzidine-3,3' -dicarboxylic acid is made by reducing 2-nitrobenzoic acid with zinc dust and sodium hydroxide solution. The resultant hydrazobenzene-2,2' -dicarboxylic acid is rearranged by heating with hydrochloric acid. The free benzidine-3,3' -dicarboxylic acid is precipitated from the hydrochloric acid solution by adding ammonia or sodium acetate. Electrolytic reduction followed by rearrangement with dilute sulfuric acid is also possible

상·하류 제품 정보

상류 원료

니트로벤조산아연

하류 제품

[1,1'-Biphenyl]-3,3'-dicarboxylicacid,4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-4'-[2-(1-hydroxy-5-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4)tetrasodium [mu-[4,4'-bis[[6-(3-carboxyanilino)-1-hydroxy-3-sulpho-2-naphthyl]azo][1,1'-biphenyl]-3,3'-dicarboxylato(8-)]]dicuprate(4-)

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
IIQLVLWFQUUZII-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(N)C(C(O)=O)=C2)=CC=C(N)C(C(O)=O)=C1
EPA
1 · [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4,4'-diamino- (2130-56-5)

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

안전 데이터

tsca
TSCA listed
독성
pic-esc 100 mmol/L MDMIAZ 31,11,79
유해 물질 데이터
2130-56-5(Hazardous Substances Data)
Direct Brown 186
Direct blue 126 (C.I. 34010)
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[(6-carboxy-1,7-dihydroxy-3-sulfo-2-naphthalenyl)azo]-4'-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, tetrasodium salt
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[4,5-dihydro-3-methyl-5-oxo-1-(6-sulfo-2-naphthalenyl)-1H-pyrazol-4-yl]azo]-4'-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-, trisodium salt

공급사43 곳

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