기본 정보
- CAS
2645-07-0- 표준 SMILES
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
XCMUCRMMVDSVEL-UHFFFAOYSA-N- 분자식
- C9H8N2O5
- 평균 분자량
- 224.17 g/mol
- 단동위원소 질량
- 224.04332136
개요
4-nitrohippuric acid is a yellow powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 4-Nitrohippuric acid
- IUPAC
- 2-[(4-nitrobenzoyl)amino]acetic acid
- 영어명
- 4-Nitrohippuric acid
- 분자식
- C9H8N2O5
- 분자량
- 224.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2645-07-0- PubChem CID
- 17549
- DTXSID
DTXSID8025759- ChEMBL
CHEMBL8682- UNII
- 9HIU46T98M
- EC Number
- 220-156-5
- Nikkaji
- J24.946G
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 291
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 131 · 131-133 °C(lit.)
- 끓는 점
- 365.56 °C · 365.56°C (rough estimate)
- 밀도
- 1.4656 · 1.4656 (rough estimate)
- 굴절률
- 1.557 · 1.5570 (estimate)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 3.31 · 3.31±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChI
- InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
- InChIKey
- XCMUCRMMVDSVEL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CNC(=O)C1=CC=C([N+]([O-])=O)C=C1
- EPA
- Glycine, N-(4-nitrobenzoyl)- (2645-07-0)
화학적 성질
YELLOW GRANULES
안전 및 규제
유해성 정보
Reactivity Profile
A nitrated amide and organic acid. Acts as a weak acid in aqueous solution. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
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, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol 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 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated 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 an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 3
- rtecs
- MC0785000
- HS 번호
- 29242990
- safety_code
- 24/25
화학 및 산업
응용 분야
일반 설명Yellow powder.
공급사34 곳
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