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2-Nitrobiphenyl

HCID 6829
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
86-00-0
표준 SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
분자식
C12H9NO2
평균 분자량
199.2 g/mol
단동위원소 질량
199.06332853

개요

Gold to tan crystals or brown solid. (NTP, 1992)

이름 및 식별자

우선 이름
2-Nitrobiphenyl
IUPAC
1-nitro-2-phenylbenzene
영어명
2-Nitrobiphenyl
분자식
C12H9NO2
분자량
199.21

이름 및 동의어

2-Nitrobiphenyl2-Nitrodiphenyl2-Nitro-1,1'-biphenylO-NITROBIPHENYL2'-NitrobiphenylCCRIS 962CP 368oNitrodiphenylDTXSID9025746Biphenyl, 2nitroNSC 55322Phenylnitrobenzene
이름 더 보기
Onbcp368Nitrodiphenyl2-NitrobiphneylO-NITRODIPHENYL2-nitro-bipheny
EINECS 201-646-8UNII-8R1N47E4DT8R1N47E4DTAI3-02563NSC-55321,1'Biphenyl, 2nitroO-NITROBIPHENYL [MI]DTXCID505746

데이터베이스 식별자

CAS
86-00-0
PubChem CID
6829
DTXSID
DTXSID9025746
ChEMBL
CHEMBL1391678
UNII
8R1N47E4DT
EC Number
201-646-8
Nikkaji
J3.892J

물성

구조 계산 물성보충 중

XLogP
3.7
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
15
형식 전하
0
복잡도
218

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Density1.203 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point290 °F (NTP, 1992)
Boiling Point608 °F at 760 mmHg (NTP, 1992)
Melting Point97 to 100 °F (NTP, 1992)
Vapor Density5.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure2 mmHg at 284 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2건

Gold to tan crystals or brown solid. (NTP, 1992)

Solid with a sweetish odor; mp = 36.7 deg C; [Merck Index] Gold to tan or brown solid; [CAMEO] Light yellow solid; mp = 36-38 deg C; [Sigma-Aldrich MSDS]

Autoignition Temperature356 °F (NTP, 1992)

물리화학적 성질

녹는점
36 · 36-38 °C(lit.)
끓는 점
320 °C · 320 °C
밀도
1.44 · 1.44
증기 밀도
5.9 · 5.9 (vs air)
증기압
2 mm · 2 mm Hg ( 140 °C)
굴절률
1.613 · 1.613-1.615
인화점
230 °F · >230 °F
물리적 상태
powder to lump
색상
White to Yellow to Green
수용성
불용성
Merck
14 · 14,6591
Henry's Law Constant
1.6 · 1.6×101 mol/(m3Pa) at 25℃, Parnis et al. (2015)
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
SMILES
C1(C2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
NIST
1 · 1,1'-Biphenyl, 2-nitro-(86-00-0)
EPA
o-Nitrobiphenyl (86-00-0)

화학적 성질

Clear yellow liquid after melting. Insoluble in water, soluble in methanol, ethanol, acetone, dimethylformamide, and tetrahydrofurfuryl alcohol.

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsThis compound is combustible. (NTP, 1992)
Hazards SummaryCauses coma, dyspnea, and weight loss in oral lethal-dose studies of rats and rabbits; [RTECS] May cause irritation; Harmful by ingestion, inhalation, and skin absorption; Suspected carcinogen; [Sigma-Aldrich MSDS] See 4-Nitrobiphenyl.
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1건

Aromatic nitro compounds, such as 2-NITRO-1,1'-BIPHENYL, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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) · 1건

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
DV5530000
HS 번호
2904.20.5000
risk_code
20/21/22-40-68-22
hazard_code
Xn
safety_code
2-7-36-45-36/37

화학 및 산업

용도 및 제조

Uses · 2건

Used as a plasticizer for resins, cellulose acetate and nitrate, and polystyrenes, as a fungicide for textiles, wood preservative, and dye intermediate; [Merck Index]

Applying Wood Preservatives [Category: Other]

응용 분야

용도2-Nitrobiphenyl is used as a plasticizer for resins, cellulose acetate, cellulose nitrate, and polystyrenes; as a fungicide for textiles; as a wood preservative; and as a dye intermediate.

일반 설명Gold to tan crystals or brown solid.

상·하류 제품 정보

하류 제품

2-아미노바이페닐(2-AMINOBIPHENYL)2,7-Dibromo-9,9'-spiro-bifluorene2,5-디브로모비페닐N-메틸비페닐-2-아민4'-iodo-2-nitro-1,1'-biphenyl

관련 반응

22건
반응 기록 만들기
HRID 7090 반응식
HRID 7090반응물로uspto-grants-2006_08
HRID 97899 반응식
HRID 97899반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 179723 반응식
HRID 179723반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 285225 반응식
HRID 285225반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 289648 반응식
HRID 289648반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 436615 반응식
HRID 436615반응물로uspto-grants-1977_02
HRID 436617 반응식
HRID 436617반응물로uspto-grants-1977_02
HRID 628213 반응식
HRID 628213반응물로uspto-grants-2016_04
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