기본 정보
- 표준 SMILES
NC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
KWAYEPXDGHYGRW-UHFFFAOYSA-N- 분자식
- C7H6N2O3
- 평균 분자량
- 166.13 g/mol
- 단동위원소 질량
- 166.03784205
개요
M-nitrobenzamide is a yellow powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-Nitrobenzamide
- IUPAC
- 3-nitrobenzamide
- 영어명
- 3-Nitrobenzamide
- 분자식
- C7H6N2O3
- 분자량
- 166.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
645-09-0- PubChem CID
- 12576
- DTXSID
DTXSID5025732- ChEMBL
CHEMBL338567- UNII
- KMU7X7KT5T
- EC Number
- 211-431-0
- Nikkaji
- J96.213I
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 88.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 199
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 140 · 140-143 °C (lit.)
- 끓는 점
- 312.55 °C · 312.55°C
- 밀도
- 1.4994 · 1.4994 (rough estimate)
- 굴절률
- 1.588 · 1.5880 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 결정질 분말 또는 결정
- 산도 계수 (pKa)
- 14.86 · 14.86±0.50(Predicted)
- 색상
- 노란색
- BRN
- 777185 · 777185
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
- InChIKey
- KWAYEPXDGHYGRW-UHFFFAOYSA-N
- SMILES
- C(N)(=O)C1=CC=CC([N+]([O-])=O)=C1
- EPA
- m-Nitrobenzamide (645-09-0)
화학적 성질
yellow powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
A nitrated amide. 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: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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 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
- tsca
- TSCA listed
- rtecs
- CV5601250
- HS 번호
- 29242990
- risk_code
- 22-36/37/38
- safety_code
- 24/25-36/37-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
일반 설명Yellow powder.
상·하류 제품 정보
하류 제품
공급사50 곳
관련 반응
연결된 노트
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